data_1r4t_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 1r4t _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 ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.43 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.962 HD23 HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.606 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.818 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.818 HD22 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.688 HD23 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.838 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.798 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.847 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 140' ' ' SER . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 136' ' ' SER . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.715 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.594 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.864 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.962 HD21 HD23 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.452 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.693 ' CD1' HG23 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.939 ' OG ' HG12 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.621 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.522 ' HB3' HD21 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.552 ' HB3' HD11 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.064 HD13 HG12 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.932 HG22 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.534 ' N ' ' OE1' ' A' ' 209' ' ' GLN . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.596 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.925 HG23 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.89 ' HB2' HG21 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.925 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG11 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 194' ' ' LEU . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.587 HD22 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.964 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.436 ' HA ' HD21 ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.828 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.7 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.7 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.964 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.817 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.817 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.932 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.064 HG12 HD13 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.619 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.527 ' O ' HD22 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.939 HG12 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.684 ' HA ' HG21 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.663 ' CB ' ' HG ' ' A' ' 147' ' ' SER . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.979 HD23 HD21 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.882 ' N ' HD11 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 1.044 ' CD2' HD11 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.553 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.044 HD11 ' CD2' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.663 ' HG ' ' CB ' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.979 HD21 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.501 ' HA ' HD13 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.7 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.464 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.759 HG12 HG23 ' A' ' 224' ' ' VAL . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 1.035 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.651 HG22 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.502 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.917 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.428 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.942 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.968 HG22 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.942 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.796 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.455 ' HA3' ' HG ' ' A' ' 149' ' ' SER . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.669 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.922 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.682 ' CG2' HD22 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.67 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.142 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 1.142 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.968 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.601 ' CG2' HD13 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.4 ' CE ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.549 ' HA ' HD23 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.981 ' O ' HG22 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.035 HG21 ' HG ' ' A' ' 159' ' ' SER . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.651 ' CD ' HG22 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.899 HD11 HD21 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.845 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.802 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 140' ' ' SER . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 136' ' ' SER . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.476 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD13 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.892 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.759 HD13 HG21 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.51 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.546 HG11 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.546 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.629 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.983 ' HB3' HD21 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.987 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.551 HH21 HG22 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 1.068 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.687 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 1.083 HG21 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.728 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.987 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.728 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 1.083 ' NE1' HG21 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.937 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.914 HD12 HD12 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.961 ' HA ' HD22 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.896 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.559 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 1.068 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.883 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.551 HG22 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.759 HG21 HD13 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.653 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.992 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.653 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.484 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.529 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.026 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 138' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.437 ' HB3' ' HD2' ' A' ' 211' ' ' HIS . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.489 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.497 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.154 HD21 HG23 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.757 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 123' ' ' LEU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.853 HD11 HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.437 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 1.026 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.853 HD11 HD11 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.544 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.79 ' HG ' ' HB3' ' A' ' 165' ' ' ARG . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.689 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.79 ' HB3' ' HG ' ' A' ' 159' ' ' SER . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.578 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.072 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.697 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.742 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.745 HG23 ' N ' ' A' ' 191' ' ' ALA . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.736 ' HB2' HG21 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.884 ' O ' HD12 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.723 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.745 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.154 HG23 HD21 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.686 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.686 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.048 HD12 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 1.048 HG13 HD12 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.658 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 14.3 t-160 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.072 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.005 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.717 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.837 ' HB2' HD23 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.502 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.056 HD21 HG13 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HA ' HD21 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.949 ' HB3' HD12 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB3' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.586 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG23 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.754 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.762 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.828 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.581 ' HA ' HD13 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.945 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.772 HD23 HD13 ' A' ' 220' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 1.038 ' CD1' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.651 ' HG ' HG22 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.441 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.855 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 169' ' ' GLY . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.713 ' HB3' HD21 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.59 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.006 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HB3' HD12 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.963 HG22 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.695 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.571 ' O ' HD11 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.776 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.006 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.776 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.891 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.439 ' N ' HG21 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.97 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.519 ' O ' HG11 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.062 HG23 HD22 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.868 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.644 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.779 HG23 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.963 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.949 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.506 ' CG ' ' HB3' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.034 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.447 ' O ' HD22 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 1.056 HG13 HD21 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.924 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.776 ' HD2' HG11 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.685 ' HA ' HG21 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.578 HG23 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.913 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.581 ' CG ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.577 ' HA ' ' HE2' ' A' ' 214' ' ' MET . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.552 ' HA ' HG21 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.813 ' CD1' HD21 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 211' ' ' HIS . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.912 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.912 ' H ' HG21 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.718 HD12 HD23 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 1.046 HD12 ' HB2' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 1.046 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 1.0 HD22 HD22 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 1.0 HD22 HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.58 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.913 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.578 ' HA3' HG23 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.449 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.974 ' CB ' ' HG ' ' A' ' 164' ' ' SER . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.543 HG11 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.543 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.974 ' HG ' ' CB ' ' A' ' 159' ' ' SER . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.53 ' CD ' HD22 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.813 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.595 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 1.004 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.58 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.928 ' CH2' HD11 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 1.004 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.575 ' O ' HG11 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.822 HD21 HD12 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.916 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.717 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.928 HD11 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.717 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 53.9 t-80 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.828 ' O ' HG22 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 121' ' ' SER . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.969 HG12 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.429 ' HB2' HD23 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.995 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.498 ' HB2' ' HE3' ' A' ' 214' ' ' MET . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.556 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 1.066 HD12 ' HB2' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 1.066 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.504 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.995 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.652 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.907 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 169' ' ' GLY . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.593 ' CB ' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD12 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.91 HG22 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.931 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.835 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.835 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.889 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.527 ' O ' HG11 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.923 HG23 HD22 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.423 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.91 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.007 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.498 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.995 ' OE1' HD21 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 1.007 HG22 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.555 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.954 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 221' ' ' ARG . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.954 HG22 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.51 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.497 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.988 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 1.036 ' HB3' ' HE3' ' A' ' 214' ' ' MET . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.423 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.503 ' HB1' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.863 HG22 ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.863 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.862 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.841 HD11 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.65 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.43 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.988 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.61 ' HG ' HD13 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.801 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.522 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.617 HG11 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.617 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.642 ' HG ' HG21 ' A' ' 224' ' ' VAL . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' A' ' 220' ' ' LEU . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.775 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.553 HH21 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.931 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.609 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.775 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.42 ' HA ' ' HG ' ' A' ' 149' ' ' SER . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.886 ' HB2' HG21 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.931 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.408 ' HB ' ' NH1' ' A' ' 146' ' ' ARG . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.733 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.818 HD22 HD13 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.724 HG22 HD12 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.651 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.641 ' O ' ' CG ' ' A' ' 203' ' ' ARG . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.841 ' HA ' HD11 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.964 HG13 HD12 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.577 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.83 ' O ' HG22 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 1.036 ' HE3' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.839 HG13 HD21 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.039 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.791 ' CD ' HG11 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 218' ' ' ALA . 27.2 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.039 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.46 ' OE1' HG22 ' A' ' 161' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 155' ' ' ILE . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.908 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.597 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 1.022 HD21 HD11 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.694 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.701 HD23 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.673 ' H ' HD11 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.811 HD12 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.7 t-80 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.722 HD12 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 1.022 HD11 HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.466 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.869 HD21 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.537 ' HG ' ' HA ' ' A' ' 182' ' ' GLN . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.908 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.492 ' HA3' HG23 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG22 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.738 HG22 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.537 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.673 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.91 ' HB3' HD21 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.745 ' O ' HD21 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 181' ' ' LEU . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.918 HG12 HD11 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.629 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.988 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.615 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.076 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 149' ' ' SER . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.827 ' HB2' HG22 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.789 ' NE1' HG21 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.671 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.719 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.988 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.811 ' CG2' HD12 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.899 HG22 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.899 HE22 HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.893 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.971 ' O ' HG22 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.049 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.657 ' NH1' HG12 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.738 ' OE1' HG22 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 224' ' ' VAL . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.528 ' CD ' ' HB1' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 1.004 HD11 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.772 HD11 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.772 ' H ' HD11 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.563 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.907 HD22 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.632 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.789 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.873 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.598 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.481 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.797 HG12 HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.58 ' HD3' HD22 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.486 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.553 HG11 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.553 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.672 ' HG ' HG21 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.501 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.052 HD11 HD21 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.764 ' NH1' HD21 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.052 HD21 HD11 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG21 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.879 ' CZ3' HG23 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.75 ' O ' HG11 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . 0.5 ' HA ' HD11 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.75 HG11 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.999 ' HB2' HD22 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.7 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.7 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.999 HD22 ' HB2' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.907 ' HB2' HD22 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.879 HG23 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 1.004 ' CD1' HD11 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.026 ' CG2' HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.045 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.503 ' HB2' HD23 ' A' ' 114' ' ' LEU . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.48 ' CD ' HG22 ' A' ' 161' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.461 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.627 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.527 ' HA ' ' HE2' ' A' ' 214' ' ' MET . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.942 ' CD1' HD22 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.663 ' H ' HD11 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.495 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.918 ' HA ' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.612 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.942 HD22 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.441 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.849 ' HA ' HD23 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.495 ' HG ' ' HB3' ' A' ' 119' ' ' LYS . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.897 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.48 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.648 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.846 HG12 HG23 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 1.062 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.631 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.964 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.609 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.609 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.63 ' HG2' HD22 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.947 HD13 ' CG2' ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.895 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.911 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.673 ' C ' ' H ' ' A' ' 185' ' ' GLY . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.855 ' CH2' HD11 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.673 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.508 ' O ' HG11 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.043 ' HA ' HD22 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.876 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.661 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.043 HD22 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.895 HD12 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.605 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 5.0 t-160 -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 121' ' ' SER . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.061 ' O ' HG22 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.062 HG21 ' HG ' ' A' ' 159' ' ' SER . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.409 ' HB2' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.487 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.017 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HD3' ' HB1' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.905 ' HB3' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.706 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.706 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.769 ' HA ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.695 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.85 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 151' ' ' ALA . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.843 HD13 HD23 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.533 ' HA ' HD13 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 1.017 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 217' ' ' VAL . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.573 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.445 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 1.013 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 164' ' ' SER . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.909 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.866 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.71 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 1.041 HG23 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.819 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.909 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.852 ' HB2' HG21 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.907 ' O ' HD12 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 1.041 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.704 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.833 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.833 ' CG1' HD12 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.534 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.905 ' CE ' ' HB3' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.514 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.054 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.514 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.837 ' HB2' HD23 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 1.002 HG22 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.607 ' O ' ' HB3' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.446 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.98 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.758 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.472 ' O ' HG21 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.755 ' CD1' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.411 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.755 HD21 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.666 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.558 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.023 HD22 HG23 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.831 ' HG3' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.78 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.895 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.838 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.545 ' HA ' HD13 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.98 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.831 ' HG ' HD13 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.719 ' HG ' ' HG ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.486 HG11 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.486 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.719 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.565 ' C ' ' CD ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.536 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.085 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.421 HH21 HG22 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.832 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.755 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.938 HG23 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.82 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.81 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.943 ' O ' HD12 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . 0.558 ' H ' ' HG ' ' A' ' 192' ' ' SER . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.938 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.558 ' HG ' ' H ' ' A' ' 188' ' ' GLY . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.023 HG23 HD22 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.886 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.67 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 200' ' ' PRO . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.886 ' CG1' HD12 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.67 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.554 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 13.6 t-160 -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.085 HG21 HD13 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.587 HG13 HD21 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.521 ' N ' HD11 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.465 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.934 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.542 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.748 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.805 HD23 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.52 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.549 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.907 HD21 HG23 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 151' ' ' ALA . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.558 ' HA ' HD13 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.934 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.73 HG12 HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.531 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.446 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.585 HG11 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.585 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 159' ' ' SER . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.57 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.725 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.024 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.646 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.777 ' HB2' HG21 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.803 ' O ' HD12 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.72 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.712 ' HB3' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.577 ' O ' HG11 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.974 HG22 HD23 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.978 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.714 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.714 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.978 HD21 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.2 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.733 HD21 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.576 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.507 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.05 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.05 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.78 ' O ' ' HB3' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.52 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.921 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.512 ' O ' HG21 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.909 ' HB3' HD12 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.512 HG21 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.676 HD22 HD11 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.525 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.525 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.063 HD21 HD23 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.814 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.814 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD21 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.792 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.921 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.734 ' HG ' HD23 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.757 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.95 ' OG ' HG12 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.89 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HB3' ' CB ' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.713 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.918 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.958 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.828 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.834 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.828 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.517 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.958 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.846 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.712 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.681 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.063 HD23 HD21 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.576 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.691 HG13 HD11 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.918 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.776 HG12 HD13 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.529 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.95 HG12 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.523 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.003 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.669 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.424 ' O ' ' HE2' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.763 ' HA ' HG21 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.763 HG21 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.905 HD23 HD22 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.581 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.922 HD12 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.678 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.919 HD22 HD22 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 151' ' ' ALA . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.919 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.5 ' HA ' HD13 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 1.003 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.547 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.641 ' H ' HG11 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.794 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.597 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.795 HD11 HD21 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.702 ' HD2' HD13 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.937 HG23 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.73 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.795 HD21 HD11 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.848 ' HB2' HG21 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.891 ' O ' HD12 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.937 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.426 ' O ' HG11 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.922 ' CG2' HD12 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.681 ' CB ' HD22 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.833 HD11 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.69 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.452 ' HE1' ' HA ' ' A' ' 214' ' ' MET . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.554 ' O ' ' CG ' ' A' ' 221' ' ' ARG . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.714 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.936 HD11 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.936 ' N ' HD11 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.794 HG21 ' HG ' ' A' ' 164' ' ' SER . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.649 ' HB2' HD23 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.977 HG22 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.989 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.823 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 1.047 ' CD1' HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.491 ' HB3' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.502 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.792 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.792 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.68 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.823 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 1.047 HD11 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.989 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG13 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.666 ' HG ' ' HB3' ' A' ' 165' ' ' ARG . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.767 HG11 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.767 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.666 ' HB3' ' HG ' ' A' ' 159' ' ' SER . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.044 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.816 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.94 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.861 HG12 HD21 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.819 HD12 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.84 ' HB2' HG21 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.9 ' CH2' HD11 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . 0.625 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.482 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.861 HD21 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.847 ' HA ' HD22 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.888 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.628 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.628 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.94 HD12 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' A' ' 176' ' ' ILE . 0.1 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.491 ' ND1' ' HB3' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.044 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.658 ' HE ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.463 ' HG3' HD23 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.909 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.834 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.834 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.688 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.657 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.909 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.873 HG12 HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.562 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.821 HG22 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.459 ' N ' HG11 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.407 HG21 ' O ' ' A' ' 163' ' ' GLU . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.719 ' HA ' HD21 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.742 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.982 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.676 ' O ' HD11 ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.657 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.852 ' O ' HD12 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.529 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.564 ' O ' HG11 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.893 HD12 HD12 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.884 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.736 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.694 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.572 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.83 HG22 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.83 HE22 HG22 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.713 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 7.4 t-160 -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.405 ' CE ' HG11 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.942 HG22 HD12 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.048 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.533 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.048 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.539 ' HG3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.821 ' OE2' HG22 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.882 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.594 ' O ' HG21 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.795 HD23 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.594 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.873 ' CD2' HG23 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.666 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.72 ' HA ' ' HG1' ' A' ' 187' ' ' THR . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.791 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.427 ' HG ' ' HB3' ' A' ' 119' ' ' LYS . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.796 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.448 ' HA ' HD13 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.882 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.625 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.458 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.49 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.735 ' CB ' ' HG ' ' A' ' 164' ' ' SER . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.665 HG11 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.735 ' HG ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.073 HD11 HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.475 HH21 HG22 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.839 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.964 HD13 HD12 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.871 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.073 HD12 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.871 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.72 ' HG1' ' HA ' ' A' ' 136' ' ' SER . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HD11 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.954 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.964 HD12 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.873 HG23 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.999 HD12 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.805 ' O ' HG22 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.999 HG13 HD12 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.839 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.661 HG23 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.017 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.509 ' CD ' HG11 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.001 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.717 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.642 ' HB1' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.021 HD21 HG23 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.717 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.994 HD22 HD22 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.994 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.577 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.649 HD11 HD11 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.755 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 1.099 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.761 ' HB3' HD21 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.043 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.717 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.863 HG23 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.043 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.577 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.872 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.876 ' CZ2' HD11 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.863 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.021 HG23 HD21 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.635 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.677 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.881 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.881 ' CG1' HD12 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.568 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.867 ' CD1' HD11 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.85 HG21 HD13 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.642 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.808 HG11 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.808 ' HD2' HG11 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.099 HG21 ' HG ' ' A' ' 164' ' ' SER . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.978 HG22 ' O ' ' A' ' 224' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 1.097 HD13 HD21 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.607 ' O ' HG21 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD12 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.648 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.779 ' HG ' HD23 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' SER . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.711 HD13 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.693 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.473 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.938 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 1.097 HD21 HD13 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.98 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.621 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.868 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 0.861 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.781 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.624 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 1.028 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.861 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.737 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.505 HG21 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.505 ' N ' HG21 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.601 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 1.028 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.937 HD12 HD12 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.591 ' CG2' HD12 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.618 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.651 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.651 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.136 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 1.136 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.926 ' NE2' HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.782 HG12 HD13 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.575 ' HA ' HD22 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . 0.579 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.823 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.579 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 0.98 HG21 ' HG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 147' ' ' SER . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.535 ' O ' HG21 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.486 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.535 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.654 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.654 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 1.075 HD21 HG23 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.754 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' SER . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 1.017 HD22 HD22 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.523 ' HG ' ' HA2' ' A' ' 116' ' ' GLY . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 1.017 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.559 ' HA ' HD13 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.957 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.902 HG23 HD11 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.581 HG11 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.581 ' H ' HG11 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.714 ' HA ' HD23 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 162' ' ' GLU . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.646 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.087 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.843 HD13 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.69 ' O ' HD22 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.434 ' O ' HD11 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.835 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.087 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.835 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.908 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.506 HG21 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' THR . . . . . 0.506 ' N ' HG21 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.508 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.944 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 1.075 HG23 HD21 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 1.034 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.715 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.715 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.034 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 0.782 HG22 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.782 ' NE2' HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 20.8 t-160 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 1.039 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 1.039 HG22 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.061 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.061 HG22 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 221' ' ' ARG . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.409 ' HA2' ' HG ' ' A' ' 147' ' ' SER . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 125' ' ' THR . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.915 HD11 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 122' ' ' GLU . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.702 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.702 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.918 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' SER . . . . . 0.731 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.915 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.576 HG11 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . 0.576 ' H ' HG11 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' SER . . . . . 0.849 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.578 ' CD ' HD22 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.851 HG22 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' GLY . . . . . 0.69 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' ILE . . . . . 0.953 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.731 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.94 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.582 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 191' ' ' ALA . . . . . 0.953 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.492 ' O ' HG11 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 1.006 HD22 HD13 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.629 ' CG2' HD12 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.607 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 199' ' ' SER . . . . . 0.664 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 200' ' ' PRO . . . . . 0.664 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 1.128 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 203' ' ' ARG . . . . . 0.782 ' HA ' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 204' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 206' ' ' ILE . . . . . 1.128 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 209' ' ' GLN . . . . . 0.851 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.915 ' CD1' HD11 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 213' ' ' VAL . . . . . 0.831 ' O ' HG22 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 214' ' ' MET . . . . . 0.428 ' HE2' ' HB ' ' A' ' 217' ' ' VAL . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 217' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 1.055 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.484 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 223' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 224' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.564 ' OE1' HG22 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 228' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.43 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.962 HD23 HD21 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.606 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.818 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.818 HD22 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.688 HD23 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.838 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.798 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.847 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.443 ' O ' ' OG ' ' A' ' 140' ' ' SER . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 136' ' ' SER . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.502 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.715 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.726 HD11 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.594 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.864 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.962 HD21 HD23 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.452 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.693 ' CD1' HG23 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.452 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.939 ' OG ' HG12 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.621 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.522 ' HB3' HD21 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.552 ' HB3' HD11 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.403 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.064 HD13 HG12 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.932 HG22 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.534 ' N ' ' OE1' ' A' ' 209' ' ' GLN . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.596 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.925 HG23 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.89 ' HB2' HG21 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.925 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG11 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 194' ' ' LEU . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.587 HD22 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.964 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.436 ' HA ' HD21 ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.828 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.7 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.7 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.964 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.817 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.489 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.655 HG13 HD11 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.817 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.932 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.064 HG12 HD13 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.619 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.527 ' O ' HD22 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.831 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.939 HG12 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.684 ' HA ' HG21 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 231' ' ' VAL . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m -72.6 -47.34 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -55.06 -33.9 63.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 227' ' ' GLU . 50.2 t -55.12 -20.33 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.663 ' CB ' ' HG ' ' A' ' 147' ' ' SER . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.979 HD23 HD21 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.882 ' N ' HD11 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 1.044 ' CD2' HD11 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.553 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.044 HD11 ' CD2' ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.596 HD21 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.524 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.663 ' HG ' ' CB ' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.979 HD21 HD23 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.501 ' HA ' HD13 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.7 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.605 HD23 HD13 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.464 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.759 HG12 HG23 ' A' ' 224' ' ' VAL . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 1.035 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.651 HG22 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.502 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.917 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.428 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.49 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.942 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.968 HG22 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.93 HD12 HD12 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.796 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.942 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.796 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.455 ' HA3' ' HG ' ' A' ' 149' ' ' SER . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.669 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.922 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.682 ' CG2' HD22 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.597 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.67 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.67 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.142 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 1.142 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.968 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.601 ' CG2' HD13 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.4 ' CE ' ' HB2' ' A' ' 120' ' ' ALA . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.549 ' HA ' HD23 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.981 ' O ' HG22 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.035 HG21 ' HG ' ' A' ' 159' ' ' SER . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.651 ' CD ' HG22 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m -71.24 -41.92 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -68.62 -35.28 77.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 227' ' ' GLU . 51.6 t -55.13 -21.51 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.047 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.892 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.523 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.528 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.899 HD11 HD21 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.899 HD21 HD11 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.845 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.802 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.566 ' H ' HG22 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.763 HD21 HG23 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.436 ' O ' ' OG ' ' A' ' 140' ' ' SER . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 136' ' ' SER . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.476 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.637 ' CD2' HD22 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD13 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.892 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.759 HD13 HG21 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.51 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.546 HG11 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.546 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.629 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.531 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.983 ' HB3' HD21 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.505 ' HA ' HD12 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.987 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.551 HH21 HG22 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 1.068 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.687 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 1.083 HG21 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.728 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.987 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.728 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 1.083 ' NE1' HG21 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.937 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.452 ' O ' HG11 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.914 HD12 HD12 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.961 ' HA ' HD22 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.896 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.559 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 1.068 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.883 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.551 HG22 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.759 HG21 HD13 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.653 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.992 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.653 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.992 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.484 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m -70.49 -37.65 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -34.45 67.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 5.1 t -56.0 -20.75 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.529 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.026 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.732 ' CD2' HD12 ' A' ' 138' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.437 ' HB3' ' HD2' ' A' ' 211' ' ' HIS . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.489 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.621 HD23 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.497 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.154 HD21 HG23 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.757 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.732 HD12 ' CD2' ' A' ' 123' ' ' LEU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.853 HD11 HD11 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.437 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 1.026 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.853 HD11 HD11 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.544 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.79 ' HG ' ' HB3' ' A' ' 165' ' ' ARG . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.689 HG11 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.689 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.79 ' HB3' ' HG ' ' A' ' 159' ' ' SER . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.483 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.578 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.072 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.697 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.742 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.745 HG23 ' N ' ' A' ' 191' ' ' ALA . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.736 ' HB2' HG21 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.884 ' O ' HD12 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.723 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.745 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.154 HG23 HD21 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.488 HD22 ' O ' ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.686 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.686 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.048 HD12 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 1.048 HG13 HD12 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.658 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 14.3 t-160 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.072 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.005 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.717 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.005 HG22 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.837 ' HB2' HD23 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.606 ' OE2' HG22 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -32.2 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -65.55 -35.62 81.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.412 ' O ' HG11 ' A' ' 231' ' ' VAL . 75.2 t -75.05 -7.35 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.502 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.056 HD21 HG13 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.787 ' HA ' HD21 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.949 ' HB3' HD12 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.506 ' HB3' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.969 HD22 HD11 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.627 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.586 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.754 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG23 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.754 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.762 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.706 HD21 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.828 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.581 ' HA ' HD13 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.945 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.772 HD23 HD13 ' A' ' 220' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 1.038 ' CD1' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.651 ' HG ' HG22 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.441 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.855 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 169' ' ' GLY . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.713 ' HB3' HD21 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.59 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.006 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HB3' HD12 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.963 HG22 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.695 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.571 ' O ' HD11 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 1.023 HD12 HD12 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.776 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.006 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.776 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.891 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.439 ' N ' HG21 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.466 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.97 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.519 ' O ' HG11 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 1.023 HD12 HD12 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.062 HG23 HD22 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.868 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.644 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.644 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.868 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.779 HG23 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.963 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.949 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.506 ' CG ' ' HB3' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.034 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.447 ' O ' HD22 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 1.056 HG13 HD21 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.924 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.776 ' HD2' HG11 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.685 ' HA ' HG21 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 230' ' ' ARG . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t -68.52 -40.82 80.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . 0.481 ' HG3' ' N ' ' A' ' 231' ' ' VAL . 3.0 ptt85 -78.7 -28.76 45.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.481 ' N ' ' HG3' ' A' ' 230' ' ' ARG . 0.3 OUTLIER -78.23 -11.05 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.578 HG23 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.913 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.581 ' CG ' ' HB1' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.577 ' HA ' ' HE2' ' A' ' 214' ' ' MET . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.552 ' HA ' HG21 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.813 ' CD1' HD21 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.717 ' HB3' ' HD2' ' A' ' 211' ' ' HIS . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.912 HG21 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.482 ' H ' HG22 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.912 ' H ' HG21 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.718 HD12 HD23 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 1.046 HD12 ' HB2' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 1.046 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 1.0 HD22 HD22 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 1.0 HD22 HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.58 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.913 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.522 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.578 ' HA3' HG23 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.449 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.974 ' CB ' ' HG ' ' A' ' 164' ' ' SER . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.543 HG11 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.66 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.543 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.974 ' HG ' ' CB ' ' A' ' 159' ' ' SER . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.66 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.53 ' CD ' HD22 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.471 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.813 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.595 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 1.004 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.794 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.58 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.794 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.928 ' CH2' HD11 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 1.004 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.575 ' O ' HG11 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.822 HD21 HD12 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.916 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.717 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.916 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.504 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.928 HD11 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.687 HD11 HD22 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.717 ' HD2' ' HB3' ' A' ' 124' ' ' ALA . 53.9 t-80 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.828 ' O ' HG22 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 121' ' ' SER . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.885 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.969 HG12 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.429 ' HB2' HD23 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t -60.68 -41.72 95.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -72.33 -19.36 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.647 HG11 ' O ' ' A' ' 231' ' ' VAL . 46.6 t -98.67 10.59 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.995 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.498 ' HB2' ' HE3' ' A' ' 214' ' ' MET . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.556 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.489 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 1.066 HD12 ' HB2' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 1.066 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.889 HD12 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.504 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.995 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.496 HD11 HD12 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.652 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.502 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.907 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 169' ' ' GLY . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.593 ' CB ' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD12 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.91 HG22 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.725 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.931 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.835 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.835 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.889 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.931 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.527 ' O ' HG11 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.706 HD12 HD12 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.923 HG23 HD22 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.866 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.643 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.643 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.423 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.725 HD11 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.91 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.007 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.498 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.995 ' OE1' HD21 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 1.007 HG22 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.555 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . 0.405 ' O ' ' HB1' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.954 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.555 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 221' ' ' ARG . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.954 HG22 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.51 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.508 ' HA ' HG11 ' A' ' 231' ' ' VAL . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t -69.11 -36.75 77.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.6 -19.94 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.582 HG12 ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -108.3 -176.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' SER . . . . . 0.582 ' N ' HG12 ' A' ' 231' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.497 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.988 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 1.036 ' HB3' ' HE3' ' A' ' 214' ' ' MET . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.423 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.503 ' HB1' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.423 HG21 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.58 HD23 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.863 HG22 ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.863 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.862 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.841 HD11 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.691 HD11 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.65 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.43 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.988 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.61 ' HG ' HD13 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.801 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.469 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.522 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.617 HG11 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.617 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.642 ' HG ' HG21 ' A' ' 224' ' ' VAL . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.51 ' HA ' HD21 ' A' ' 220' ' ' LEU . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.775 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.553 HH21 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.931 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.609 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.886 HG21 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.775 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.42 ' HA ' ' HG ' ' A' ' 149' ' ' SER . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.886 ' HB2' HG21 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.931 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.408 ' HB ' ' NH1' ' A' ' 146' ' ' ARG . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.733 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.627 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.405 ' O ' HG11 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.818 HD22 HD13 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.724 HG22 HD12 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.651 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.641 ' O ' ' CG ' ' A' ' 203' ' ' ARG . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.634 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.964 HD12 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.841 ' HA ' HD11 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.497 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.964 HG13 HD12 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.577 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.83 ' O ' HG22 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 1.036 ' HE3' ' HB3' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.839 HG13 HD21 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.634 ' HB3' ' NE2' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.039 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.791 ' CD ' HG11 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.634 ' NE2' ' HB3' ' A' ' 218' ' ' ALA . 27.2 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.039 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 231' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m -72.99 -15.19 61.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -87.03 -37.84 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 227' ' ' GLU . 4.4 m -79.96 -18.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.502 HG21 HD11 ' A' ' 155' ' ' ILE . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.908 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.597 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 1.022 HD21 HD11 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.694 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.701 HD23 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.673 ' H ' HD11 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.566 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.811 HD12 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.7 t-80 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.722 HD12 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 1.022 HD11 HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.466 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.869 HD21 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.537 ' HG ' ' HA ' ' A' ' 182' ' ' GLN . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.908 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.931 HD23 HD11 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.492 ' HA3' HG23 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.872 HG13 HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG22 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.738 HG22 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.537 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.673 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.91 ' HB3' HD21 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.745 ' O ' HD21 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.745 HD21 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 181' ' ' LEU . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.918 HG12 HD11 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.629 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.988 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.615 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.076 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.537 ' HA ' ' HG ' ' A' ' 149' ' ' SER . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.827 ' HB2' HG22 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.789 ' NE1' HG21 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.671 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.719 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.988 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.811 ' CG2' HD12 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.899 HG22 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.899 HE22 HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.893 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.694 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.971 ' O ' HG22 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.971 HG22 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.049 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.657 ' NH1' HG12 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.049 HG22 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.738 ' OE1' HG22 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 224' ' ' VAL . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m -72.6 -35.09 67.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.64 80.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 227' ' ' GLU . 54.9 t -43.16 -38.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.002 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.472 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.972 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.528 ' CD ' ' HB1' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.42 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 1.004 HD11 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.42 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.772 HD11 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.772 ' H ' HD11 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.563 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.907 HD22 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.632 ' O ' ' HB1' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.544 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.789 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.873 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.598 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.417 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.972 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.481 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.797 HG12 HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.58 ' HD3' HD22 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.486 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.553 HG11 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.553 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.672 ' HG ' HG21 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.501 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.052 HD11 HD21 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.777 ' CD1' HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.764 ' NH1' HD21 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.779 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.597 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.926 HG12 HD21 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.052 HD21 HD11 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG21 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.879 ' CZ3' HG23 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.639 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.427 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.75 ' O ' HG11 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . 0.5 ' HA ' HD11 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.926 HD21 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.75 HG11 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.5 HD11 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.999 ' HB2' HD22 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.7 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.7 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.999 HD22 ' HB2' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.907 ' HB2' HD22 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.879 HG23 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.571 HE21 HG22 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 1.004 ' CD1' HD11 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.026 ' CG2' HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.55 ' HA ' HD23 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.045 ' O ' HG22 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.464 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.045 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.503 ' HB2' HD23 ' A' ' 114' ' ' LEU . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 230' ' ' ARG . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 231' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t -71.69 -33.26 68.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 226' ' ' SER . 6.0 mtp180 -65.25 -32.64 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 227' ' ' GLU . 72.1 t -53.85 -21.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.409 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.461 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.627 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.527 ' HA ' ' HE2' ' A' ' 214' ' ' MET . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.942 ' CD1' HD22 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.605 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.663 ' H ' HD11 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.495 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.918 ' HA ' HD13 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.612 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.942 HD22 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.441 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.627 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.849 ' HA ' HD23 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.439 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.495 ' HG ' ' HB3' ' A' ' 119' ' ' LYS . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.897 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.575 HD21 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.48 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.648 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.846 HG12 HG23 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 1.062 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.631 HG11 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.631 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.964 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.609 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.609 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.63 ' HG2' HD22 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.575 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.947 HD13 ' CG2' ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.75 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.895 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.911 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.661 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.673 ' C ' ' H ' ' A' ' 185' ' ' GLY . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.855 ' CH2' HD11 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.673 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.508 ' O ' HG11 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.773 HD12 HD12 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.043 ' HA ' HD22 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.876 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.661 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.661 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.043 HD22 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.895 HD12 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.605 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 5.0 t-160 -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.947 ' CG2' HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 121' ' ' SER . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.061 ' O ' HG22 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.062 HG21 ' HG ' ' A' ' 159' ' ' SER . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.409 ' HB2' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.786 ' HA ' HG12 ' A' ' 231' ' ' VAL . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -46.91 80.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 231' ' ' VAL . 0.0 OUTLIER -88.55 -37.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 228' ' ' VAL . 0.0 OUTLIER 40.63 94.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.837 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.487 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.017 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.41 ' HD3' ' HB1' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.905 ' HB3' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.706 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.706 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.769 ' HA ' HD13 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.695 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.85 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.85 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 151' ' ' ALA . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.843 HD13 HD23 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.533 ' HA ' HD13 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 1.017 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.432 HD13 HG21 ' A' ' 217' ' ' VAL . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD23 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.78 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.573 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.445 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.529 ' O ' HD11 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.445 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 1.013 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.529 HD11 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 164' ' ' SER . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.909 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.866 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.71 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.527 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 1.041 HG23 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.819 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.909 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.852 ' HB2' HG21 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.907 ' O ' HD12 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.707 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 1.041 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.544 HG23 HD12 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.704 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.833 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.736 ' HA ' HD11 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.833 ' CG1' HD12 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.534 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.905 ' CE ' ' HB3' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.498 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.514 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.054 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.514 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.054 HG22 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.837 ' HB2' HD23 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 1.002 HG22 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m -72.35 -36.65 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -66.53 -36.79 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.33 -45.21 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.607 ' O ' ' HB3' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.446 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.98 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.758 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.472 ' O ' HG21 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.755 ' CD1' HD21 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.411 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.755 HD21 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.666 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.558 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.023 HD22 HG23 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.51 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.831 ' HG3' HD12 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.78 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.895 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.895 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.838 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.545 ' HA ' HD13 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.98 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.831 ' HG ' HD13 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.814 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.719 ' HG ' ' HG ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.486 HG11 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.486 ' H ' HG11 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.719 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.565 ' C ' ' CD ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.536 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.531 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.085 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.545 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.421 HH21 HG22 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.832 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.755 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.938 HG23 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.81 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.82 HD12 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.81 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.943 ' O ' HD12 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . 0.558 ' H ' ' HG ' ' A' ' 192' ' ' SER . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.672 ' HB3' HD11 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.938 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.558 ' HG ' ' H ' ' A' ' 188' ' ' GLY . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.893 HD21 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.023 HG23 HD22 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.886 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.67 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 200' ' ' PRO . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.886 ' CG1' HD12 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.67 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.554 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 13.6 t-160 -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.085 HG21 HD13 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.587 HG13 HD21 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.02 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.521 ' N ' HD11 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m -72.32 -42.51 65.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.06 -34.72 57.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 51.3 t -45.8 -37.06 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.465 ' C ' ' HB1' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.934 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.542 ' O ' HG21 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.748 ' CD2' HD21 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.542 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.805 HD23 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.52 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.549 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.907 HD21 HG23 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.597 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.803 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 151' ' ' ALA . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.789 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.558 ' HA ' HD13 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.934 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.725 HD21 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.73 HG12 HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.462 ' CG ' ' HB2' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.531 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.446 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.585 HG11 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.585 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 159' ' ' SER . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.57 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.57 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.725 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.024 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.646 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.777 ' HB2' HG21 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.803 ' O ' HD12 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.72 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.712 ' HB3' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.577 ' O ' HG11 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.974 HG22 HD23 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.978 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.714 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.714 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.978 HD21 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.2 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.733 HD21 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.024 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.576 ' HE3' ' HB2' ' A' ' 120' ' ' ALA . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.507 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.05 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.05 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 232' ' ' SER . 0.5 OUTLIER -73.06 -43.94 61.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -36.6 69.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 228' ' ' VAL . 0.3 OUTLIER -85.69 -15.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 229' ' ' SER . 33.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.78 ' O ' ' HB3' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.52 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.921 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.554 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' O ' HG21 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.909 ' HB3' HD12 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.512 HG21 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.676 HD22 HD11 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.525 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.525 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.063 HD21 HD23 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.814 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.814 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD21 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.792 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.921 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.734 ' HG ' HD23 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.757 HG12 HG13 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.42 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.95 ' OG ' HG12 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.745 HG22 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.89 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.41 ' HB3' ' CB ' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.713 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.918 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.958 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.828 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.834 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.828 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.517 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.958 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.638 HD21 HD12 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.846 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.712 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.681 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.063 HD23 HD21 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.576 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.691 HG13 HD11 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.918 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.909 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.776 HG12 HD13 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.529 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.95 HG12 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.745 ' OE1' HG22 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m -72.56 -29.81 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -72.98 -35.59 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.97 -18.34 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.681 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.649 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.523 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.003 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.669 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.424 ' O ' ' HE2' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.763 ' HA ' HG21 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.744 HD21 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.763 HG21 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.905 HD23 HD22 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.581 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.922 HD12 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.763 HD21 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.678 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.919 HD22 HD22 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 151' ' ' ALA . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.919 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.5 ' HA ' HD13 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 1.003 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.547 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.682 HG12 HG13 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.641 ' H ' HG11 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.794 ' HG ' HG21 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.597 ' HA ' HD21 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.795 HD11 HD21 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.5 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.702 ' HD2' HD13 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.732 HD12 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.628 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.937 HG23 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.73 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.795 HD21 HD11 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.848 ' HB2' HG21 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.891 ' O ' HD12 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB2' HG22 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.937 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.426 ' O ' HG11 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.922 ' CG2' HD12 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.681 ' CB ' HD22 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.743 ' CD1' HD13 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.833 HD11 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.69 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.489 HG23 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.452 ' HE1' ' HA ' ' A' ' 214' ' ' MET . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.554 ' O ' ' CG ' ' A' ' 221' ' ' ARG . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.714 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.936 HD11 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.936 ' N ' HD11 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.794 HG21 ' HG ' ' A' ' 164' ' ' SER . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.649 ' HB2' HD23 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m -72.65 -34.56 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -52.43 -36.97 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.3 p -43.46 -27.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 230' ' ' ARG . 2.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.977 HG22 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.433 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.989 ' HG ' ' HB2' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.823 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 1.047 ' CD1' HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.491 ' HB3' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.502 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.792 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.792 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.68 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.823 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 1.047 HD11 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.583 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.464 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.989 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG13 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.666 ' HG ' ' HB3' ' A' ' 165' ' ' ARG . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.767 HG11 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.767 ' H ' HG11 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.666 ' HB3' ' HG ' ' A' ' 159' ' ' SER . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.044 HD13 HG21 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.758 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.816 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.94 ' HA3' HD12 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.861 HG12 HD21 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.819 HD12 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.84 ' HB2' HG21 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.9 ' CH2' HD11 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . 0.625 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.482 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.623 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.861 HD21 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.847 ' HA ' HD22 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.888 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.628 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.628 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.442 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.94 HD12 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.543 ' NE2' HD11 ' A' ' 176' ' ' ILE . 0.1 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.491 ' ND1' ' HB3' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.044 HG21 HD13 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.879 HG22 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.967 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.658 ' HE ' HD13 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.463 ' HG3' HD23 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t -70.96 -25.2 62.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -73.46 -36.08 65.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.71 -53.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.909 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.601 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.533 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.834 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.7 ' HG2' HD12 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.834 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.803 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.803 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.852 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.688 ' HB2' ' HB1' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.657 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.909 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.873 HG12 HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.562 ' HG ' ' HB2' ' A' ' 164' ' ' SER . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.821 HG22 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.459 ' N ' HG11 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.562 ' HB2' ' HG ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.407 HG21 ' O ' ' A' ' 163' ' ' GLU . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.719 ' HA ' HD21 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.022 HD21 HG12 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.742 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.982 HG23 ' HB1' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.676 ' O ' HD11 ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.657 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.852 ' O ' HD12 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.529 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.982 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.564 ' O ' HG11 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.893 HD12 HD12 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.884 ' HA ' HD12 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.736 ' O ' HD21 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.694 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.572 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.83 HG22 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.83 HE22 HG22 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.713 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.408 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 7.4 t-160 -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.022 HG12 HD21 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.405 ' CE ' HG11 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . 0.825 ' HB3' HD13 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.942 HG22 HD12 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.048 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.533 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.048 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.539 ' HG3' HD23 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.821 ' OE2' HG22 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m -62.24 -46.17 90.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -35.57 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 227' ' ' GLU . 79.3 t -60.62 -30.57 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.735 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.882 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.572 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.594 ' O ' HG21 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.795 HD23 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.594 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.873 ' CD2' HG23 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.666 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.72 ' HA ' ' HG1' ' A' ' 187' ' ' THR . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.791 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.427 ' HG ' ' HB3' ' A' ' 119' ' ' LYS . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.796 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.448 ' HA ' HD13 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.882 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.625 ' HA3' ' HG1' ' A' ' 113' ' ' THR . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.458 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.49 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.735 ' CB ' ' HG ' ' A' ' 164' ' ' SER . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.665 HG11 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.735 ' HG ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.418 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.073 HD11 HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.475 HH21 HG22 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.839 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.591 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.964 HD13 HD12 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.871 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.073 HD12 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.871 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.931 ' O ' HD12 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.72 ' HG1' ' HA ' ' A' ' 136' ' ' SER . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HD11 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.954 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.964 HD12 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.873 HG23 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.684 ' HB2' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.999 HD12 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.805 ' O ' HG22 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.999 HG13 HD12 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.839 ' NE2' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.661 HG23 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.017 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.509 ' CD ' HG11 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.017 HG22 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p -72.54 -38.68 67.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -36.76 62.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.06 -58.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB1' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.001 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.717 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.867 HD11 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.642 ' HB1' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.519 ' H ' HG22 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.021 HD21 HG23 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.71 ' HG ' ' HB2' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.717 ' HB1' ' HG2' ' A' ' 119' ' ' LYS . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.994 HD22 HD22 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.994 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.577 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.649 HD11 HD11 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.532 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.755 ' HG ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 1.099 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 169' ' ' GLY . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.761 ' HB3' HD21 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.043 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.717 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.863 HG23 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.872 ' HB2' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.043 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.577 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.872 ' HG2' ' HB2' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.876 ' CZ2' HD11 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.863 ' N ' HG23 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.021 HG23 HD21 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.635 ' HB2' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.677 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.881 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.881 ' CG1' HD12 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.568 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.867 ' CD1' HD11 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.85 HG21 HD13 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.642 ' HG2' ' HB1' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.808 HG11 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.067 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.808 ' HD2' HG11 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.099 HG21 ' HG ' ' A' ' 164' ' ' SER . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.692 ' HB2' HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 1.012 ' O ' HG12 ' A' ' 231' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . 0.42 ' C ' ' CG2' ' A' ' 231' ' ' VAL . 16.3 mtt-85 -91.54 -33.34 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 1.012 HG12 ' O ' ' A' ' 228' ' ' VAL . 1.6 m 40.78 90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 1.097 HD13 HD21 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.607 ' O ' HG21 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD12 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.607 HG21 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.779 HD23 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.648 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.779 ' HG ' HD23 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' SER . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.711 HD13 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.627 ' HB2' HD12 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.693 ' HB2' HD22 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.473 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.938 ' HB2' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 1.097 HD21 HD13 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.776 HG12 HG23 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.513 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.98 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.621 HG11 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.621 ' H ' HG11 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.868 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.513 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 0.861 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.781 HG22 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.624 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 1.028 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.732 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.861 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.737 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.84 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.505 HG21 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.505 ' N ' HG21 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.601 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 1.028 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.937 HD12 HD12 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.591 ' CG2' HD12 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.618 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.651 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.651 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.136 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 1.136 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.926 ' NE2' HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.704 HD12 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.782 HG12 HD13 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.575 ' HA ' HD22 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . 0.579 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.823 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.579 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 0.98 HG21 ' HG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m -59.88 -28.3 67.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -82.08 -34.73 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 73.2 t -43.86 -36.63 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.06 179.979 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.523 ' HA2' ' HG ' ' A' ' 147' ' ' SER . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.535 ' O ' HG21 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.809 ' HB3' HD12 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.486 ' HB3' ' CD2' ' A' ' 211' ' ' HIS . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.535 HG21 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.724 ' O ' HG23 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.654 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.654 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 1.075 HD21 HG23 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.809 ' HB3' HD21 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.754 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 140' ' ' SER . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.809 HD21 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.552 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 1.017 HD22 HD22 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.523 ' HG ' ' HA2' ' A' ' 116' ' ' GLY . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 1.017 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.559 ' HA ' HD13 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.957 ' HB3' HD21 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.776 HD21 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.902 HG23 HD11 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.581 HG11 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.581 ' H ' HG11 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.714 ' HA ' HD23 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.423 HD12 ' O ' ' A' ' 162' ' ' GLU . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.646 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.776 ' CB ' HD21 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.087 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.48 ' HB3' HD12 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.843 HD13 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.69 ' O ' HD22 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.434 ' O ' HD11 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.835 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.087 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.835 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.908 ' O ' HD12 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.506 HG21 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' THR . . . . . 0.506 ' N ' HG21 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.508 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.944 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 1.075 HG23 HD21 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 1.034 ' HB2' HD21 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.715 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.715 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.034 HD21 ' HB2' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 0.782 HG22 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.782 ' NE2' HG22 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 124' ' ' ALA . 20.8 t-160 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 1.039 ' O ' HG22 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 1.039 HG22 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.061 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.061 HG22 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 221' ' ' ARG . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -38.73 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -35.89 76.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 76.6 t -48.44 -41.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.409 ' HA2' ' HG ' ' A' ' 147' ' ' SER . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' HG2' ' HB1' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.441 ' O ' ' OG1' ' A' ' 125' ' ' THR . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.915 HD11 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 122' ' ' GLU . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.564 HD23 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.702 HG21 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.702 ' CD ' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.782 HD11 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.692 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.564 ' HB2' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.918 HD22 HD22 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.731 ' HG ' ' HG2' ' A' ' 182' ' ' GLN . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD21 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.416 HD22 HD23 ' A' ' 117' ' ' LEU . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.85 HG12 HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.586 ' HG2' ' HB2' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.915 ' HG ' HG21 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.408 HE22 HG21 ' A' ' 231' ' ' VAL . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.576 HG11 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . 0.576 ' H ' HG11 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' SER . . . . . 0.849 ' HG ' ' HG ' ' A' ' 159' ' ' SER . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.578 ' CD ' HD22 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' ALA . . . . . 0.586 ' HB2' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . 1.086 ' CD1' HD12 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.851 HG22 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' GLY . . . . . 0.69 ' CA ' HD11 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . 0.953 HG23 ' HB1' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB2' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 1.086 HD12 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.731 ' HG2' ' HG ' ' A' ' 149' ' ' SER . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB2' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.94 ' O ' HD12 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.582 ' HB2' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' ALA . . . . . 0.953 ' HB1' HG23 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.492 ' O ' HG11 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 1.006 HD22 HD13 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.629 ' CG2' HD12 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.607 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 199' ' ' SER . . . . . 0.664 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 200' ' ' PRO . . . . . 0.664 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 1.128 HD12 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 203' ' ' ARG . . . . . 0.782 ' HA ' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 204' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 206' ' ' ILE . . . . . 1.128 ' CG1' HD12 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 209' ' ' GLN . . . . . 0.851 ' CD ' HG22 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.915 ' CD1' HD11 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . 0.831 ' O ' HG22 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 214' ' ' MET . . . . . 0.428 ' HE2' ' HB ' ' A' ' 217' ' ' VAL . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 1.055 ' O ' HG22 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.484 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 223' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 224' ' ' VAL . . . . . 1.055 HG22 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.564 ' OE1' HG22 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 228' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p -72.57 -34.79 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -63.42 -35.73 81.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 227' ' ' GLU . 27.5 t -47.18 -48.07 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.977 HD21 HD22 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.6 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.888 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.888 ' H ' HG22 ' A' ' 127' ' ' THR . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.7 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.716 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.977 HD22 HD21 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.453 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.682 ' CD1' HG21 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.93 ' OG ' HG13 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.538 ' HB3' HD22 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.062 HD11 HG13 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.925 HG23 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.543 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.585 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.914 HG21 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.901 ' HB2' HG22 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.914 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 193' ' ' GLN . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.591 HD23 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.978 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.713 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.713 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.806 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.806 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.925 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.062 HG13 HD11 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.93 HG13 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.686 ' HA ' HG22 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.965 HD21 HD22 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.056 HD23 HD12 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.056 HD12 HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.614 HD13 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.965 HD22 HD21 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.691 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.747 HD12 HD23 ' A' ' 117' ' ' LEU . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.852 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.643 HG23 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.516 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 224' ' ' VAL . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.933 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.958 HG23 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.712 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.919 HD13 HD13 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.798 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.919 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.678 ' CG2' HD23 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.132 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 1.132 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.958 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.56 ' HA ' HD21 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.643 ' CD ' HG23 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.875 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.879 HD12 HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.868 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.875 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.501 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.807 HG12 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.574 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.989 ' HB3' HD22 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.977 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.949 HG12 HD12 ' A' ' 181' ' ' LEU . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.733 ' H ' ' NE2' ' A' ' 209' ' ' GLN . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 1.072 HG22 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.718 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.977 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.718 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 1.072 ' NE1' HG22 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.93 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.899 HD13 HD13 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.884 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.911 ' OE1' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.866 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.549 HG23 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.666 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 167' ' ' GLN . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.476 ' OE1' HG23 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.531 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.016 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 145' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.504 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.156 HD22 HG21 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.75 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 134' ' ' GLU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 1.016 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.83 HG12 HG21 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 155' ' ' ILE . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.701 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.496 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.572 ' CB ' HD23 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.768 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 183' ' ' GLN . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.659 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.75 HD13 HD12 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.754 ' HB2' HG22 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.878 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.715 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.736 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.686 HD23 HD11 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.156 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.696 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.041 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.684 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.725 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.725 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 221' ' ' ARG . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.857 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.6 ' OE2' HG23 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.495 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.038 HD22 HG11 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.821 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.955 ' HB3' HD13 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.497 ' HB1' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.959 HD23 HD12 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.64 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.054 HD23 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.753 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.582 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 1.027 ' CD1' HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.61 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.997 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.954 HG23 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.691 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.56 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.766 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.997 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.766 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.882 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.965 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.515 ' O ' HG12 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.054 HG21 HD23 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.855 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.654 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.769 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.954 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.955 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.497 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.024 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 1.038 HG11 HD22 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.027 HG21 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.577 HG21 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.901 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.804 ' CD1' HD22 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.94 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.94 ' H ' HG22 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.557 ' HA ' HD11 ' A' ' 172' ' ' LEU . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.901 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.513 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.577 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.759 HG21 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.958 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.701 ' HA ' HD21 ' A' ' 220' ' ' LEU . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.52 ' CD ' HD23 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.865 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.828 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.623 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.784 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.865 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.784 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.918 ' CH2' HD12 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.554 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.987 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.914 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.707 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.723 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.914 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.918 HD12 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 214' ' ' MET . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.875 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.958 HG13 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.862 HD12 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 1.061 HD23 HD12 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.55 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.55 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.061 HD12 HD23 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 1.055 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 1.055 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.514 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.505 ' HB3' HD22 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.804 HG21 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.57 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.686 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.613 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.056 ' CD1' HD13 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.901 HG23 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.929 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.056 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.881 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.548 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.909 HG21 HD23 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.852 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.422 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.719 HD12 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.901 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.862 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.986 ' OE1' HD22 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.562 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 219' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.944 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 226' ' ' SER . . . . . 0.497 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.979 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB2' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.584 HD21 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.841 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.882 ' H ' HG22 ' A' ' 127' ' ' THR . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 148' ' ' LEU . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.661 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.821 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.646 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.488 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.77 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.548 HH21 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.953 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.634 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.907 HG22 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.77 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.907 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.953 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.725 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.616 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.403 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.71 HG23 HD13 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.653 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.857 ' HA ' HD12 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.971 HG13 HD13 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.516 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.826 HG11 HD22 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.783 ' CD ' HG12 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' A' ' 218' ' ' ALA . 10.5 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 161' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 151' ' ' ALA . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.426 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.899 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.022 HD22 HD12 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.661 ' H ' HD12 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.578 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.799 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 4.2 t60 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.738 HD13 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.722 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.022 HD12 HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.494 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.899 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.917 HD21 HD12 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.891 HG13 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG23 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.73 HG23 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.567 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.928 ' HB3' HD22 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.735 ' O ' HD22 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' A' ' 176' ' ' ILE . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.923 HG12 HD12 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.657 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.971 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.605 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.066 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.843 ' HB2' HG23 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.779 ' NE1' HG22 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.735 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.971 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.799 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.666 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.889 HG23 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.889 HE22 HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.892 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.684 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.962 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.647 ' NH1' HG13 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 225' ' ' GLU . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.956 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CD ' ' HB2' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.993 HD12 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.733 HD12 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.733 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.509 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.647 ' HB2' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.802 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.862 HD12 HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.423 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.472 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.816 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.48 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.563 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.57 ' OG ' HG22 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.518 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.755 ' NH1' HD22 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.771 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.593 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.945 HG12 HD22 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG22 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.416 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.74 ' O ' HG12 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.945 HD22 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.9 ' HB2' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.587 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.993 ' CD1' HD12 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.015 ' CG2' HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.556 ' HA ' HD21 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.034 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.487 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.034 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' A' ' 228' ' ' VAL . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.473 ' CD ' HG23 ' A' ' 161' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.888 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.617 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.5 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.913 ' HA ' HD11 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.608 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 138' ' ' LEU . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.847 ' HA ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 143' ' ' GLY . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.888 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' A' ' 165' ' ' ARG . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.849 ' OG ' HG13 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.655 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.691 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.6 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.6 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.625 ' HG2' HD23 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.6 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.942 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.546 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.766 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.917 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.9 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.671 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.845 ' CH2' HD12 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.9 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.033 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.033 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.917 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.942 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 214' ' ' MET . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.001 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.898 ' HB1' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.698 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.853 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.853 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.823 HD11 HD21 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 172' ' ' LEU . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.447 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 155' ' ' ILE . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.685 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 180' ' ' ALA . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.883 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.735 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 1.032 HG21 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.809 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.9 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.86 ' HB2' HG22 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.899 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 1.032 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.534 HG21 HD13 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.682 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.823 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.752 ' HA ' HD12 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.823 ' CG1' HD13 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.586 HE22 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.898 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.535 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.044 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.849 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.6 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.982 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.779 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.745 ' CD1' HD22 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.745 HD22 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.552 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.009 HD23 HG21 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.848 ' HG3' HD13 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.908 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.827 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.982 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.828 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.832 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.565 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 173' ' ' GLU . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 173' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 170' ' ' ARG . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.419 HH21 HG23 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.849 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.779 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.928 HG21 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.811 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.816 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.934 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 145' ' ' LEU . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.928 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.906 HD22 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.009 HG21 HD23 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.876 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.662 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' NE ' ' A' ' 203' ' ' ARG . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.876 ' CG1' HD13 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.662 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.54 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.571 HG11 HD22 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.01 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.513 ' N ' HD12 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.459 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.923 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.49 ' O ' ' HB1' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.738 ' CD2' HD22 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.562 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.795 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' GLY . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.772 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.923 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.75 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.598 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 224' ' ' VAL . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.561 ' C ' ' CD ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.555 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.76 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.022 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.643 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.56 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.795 ' HB2' HG22 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.795 ' O ' HD13 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.712 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.702 ' HB1' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.574 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.643 HD21 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.962 HG23 HD21 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.97 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.728 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.97 HD22 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.501 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.684 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.723 HD22 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.524 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.04 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.772 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.927 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.518 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.518 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.061 HD22 HD21 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.825 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.77 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.927 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.741 ' HG ' HD21 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.777 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.437 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.941 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.739 HG23 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.478 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.612 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.913 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.948 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.842 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.822 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.842 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.543 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.948 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.621 HD22 HD13 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.858 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.692 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.692 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.061 HD21 HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.574 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.686 HG13 HD12 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.913 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 223' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.941 HG13 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.739 ' OE1' HG23 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' CB ' ' HE1' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.765 ' HA ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.889 HD21 HD23 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.566 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.523 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.914 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.7 HG12 HG11 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.62 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.78 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.709 ' HD2' HD11 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.654 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.927 HG21 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.747 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.78 HD22 HD12 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.856 ' HB2' HG22 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.883 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.612 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.927 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.423 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.773 HD22 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.914 ' CG2' HD13 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.672 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.825 HD12 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.69 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.472 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.722 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.926 ' N ' HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 223' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 155' ' ' ILE . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.996 HG23 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.986 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.827 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.038 ' CD1' HD12 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB1' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.785 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.669 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.827 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.038 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.996 ' HA ' HG23 ' A' ' 113' ' ' THR . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' ILE . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.777 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.048 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.72 HH21 HE22 ' A' ' 209' ' ' GLN . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.952 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.878 HG12 HD22 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.81 HD13 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.855 ' HB2' HG22 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.612 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.878 HD22 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.819 ' HA ' HD23 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.872 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.872 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.952 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.72 HE22 HH21 ' A' ' 174' ' ' ARG . 0.0 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 211' ' ' HIS . . . . . 0.481 ' ND1' ' HB1' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.048 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.657 ' HE ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.462 ' HG3' HD21 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.898 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.674 ' HB3' HD13 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.539 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.693 ' HG2' HD13 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.831 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.807 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.807 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.844 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.608 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.898 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 156' ' ' ARG . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 224' ' ' VAL . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.812 HG23 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.013 HD22 HG13 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.738 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.816 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.844 ' O ' HD13 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.556 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.561 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.884 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.897 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.726 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.699 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.564 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.821 HG23 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.821 HE22 HG23 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.727 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.013 HG13 HD22 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.458 ' HE3' HG12 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.926 HG23 HD13 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.037 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.522 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.812 ' OE2' HG23 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.873 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' HA ' ' NH1' ' A' ' 221' ' ' ARG . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.636 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.8 HD21 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.866 ' CD2' HG21 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.796 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLY . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.873 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.603 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.696 HG12 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.696 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.535 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.053 HD12 HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.477 HH21 HG23 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.835 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.616 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.944 HD11 HD13 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.888 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.053 HD13 HD12 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.943 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.944 HD13 HD11 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.866 HG21 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.695 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.695 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.019 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 1.019 HG13 HD13 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.835 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.562 ' HA ' HD21 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.006 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.505 ' CD ' HG12 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.683 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.712 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.855 HD12 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.724 HD22 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.831 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.714 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.528 ' HA ' HD11 ' A' ' 172' ' ' LEU . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.641 HD12 HD12 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG11 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.611 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.76 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.771 ' HB3' HD22 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.033 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.852 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.741 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.852 HG21 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.891 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.033 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ2' HD12 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.852 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.723 HD23 HD11 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.624 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.684 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.871 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 205' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.871 ' CG1' HD13 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.568 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.63 ' HG2' ' HB2' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.813 HG12 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.056 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.813 ' HD2' HG12 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.056 HG23 ' O ' ' A' ' 220' ' ' LEU . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 224' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 1.109 HD11 HD22 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.599 ' O ' HG22 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD13 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.64 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.64 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.786 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.764 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 145' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.479 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 1.109 HD22 HD11 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.839 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.635 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.679 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 0.851 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.777 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.617 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.721 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.747 ' HB2' HG23 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.834 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.625 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.922 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.58 ' CG2' HD13 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 1.126 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.917 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 218' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 222' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 0.839 HG13 ' OG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.718 ' O ' HG21 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.781 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.823 ' HB3' HD22 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.747 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.553 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.568 ' HA ' HD11 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.609 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.709 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.665 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.078 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.836 HD11 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.94 HD13 HD22 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.824 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.078 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.824 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.901 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 187' ' ' THR . . . . . 0.499 ' N ' HG22 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.94 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.062 HG21 HD22 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 196' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 1.039 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.722 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.039 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 0.774 HG23 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.774 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 1.029 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 219' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 225' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.842 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.905 HD12 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.568 HD21 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.695 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.695 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.908 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 149' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 172' ' ' LEU . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.842 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 168' ' ' ALA . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.844 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.603 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.885 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' GLU . . . . . 0.611 ' H ' HG12 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 164' ' ' SER . . . . . 0.755 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.568 ' CD ' HD23 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 168' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.844 HG23 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' GLY . . . . . 0.683 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 179' ' ' ILE . . . . . 0.939 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.815 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 1.076 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' GLN . . . . . 0.815 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.932 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.606 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 191' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.987 HD23 HD11 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.619 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 199' ' ' SER . . . . . 0.679 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 200' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 1.118 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 203' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 204' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 206' ' ' ILE . . . . . 1.118 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 209' ' ' GLN . . . . . 0.844 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.502 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 223' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 224' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.555 ' OE1' HG23 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 228' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.977 HD21 HD22 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.6 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.888 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.888 ' H ' HG22 ' A' ' 127' ' ' THR . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.7 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.716 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.977 HD22 HD21 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.453 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.682 ' CD1' HG21 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.93 ' OG ' HG13 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.538 ' HB3' HD22 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.062 HD11 HG13 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.925 HG23 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.543 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.585 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.914 HG21 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.901 ' HB2' HG22 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.914 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 193' ' ' GLN . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.591 HD23 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.978 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.713 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.713 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.806 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.806 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.925 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.062 HG13 HD11 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.93 HG13 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.686 ' HA ' HG22 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 231' ' ' VAL . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m -72.6 -47.34 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -55.06 -33.9 63.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 227' ' ' GLU . 50.2 t -55.12 -20.33 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.965 HD21 HD22 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.056 HD23 HD12 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.056 HD12 HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.614 HD13 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.965 HD22 HD21 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.691 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.747 HD12 HD23 ' A' ' 117' ' ' LEU . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.852 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.643 HG23 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.516 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 224' ' ' VAL . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.933 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.958 HG23 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.712 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.919 HD13 HD13 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.798 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.919 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.678 ' CG2' HD23 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.132 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 1.132 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.958 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.56 ' HA ' HD21 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.643 ' CD ' HG23 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m -71.24 -41.92 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -68.62 -35.28 77.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 227' ' ' GLU . 51.6 t -55.13 -21.51 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.047 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.875 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.879 HD12 HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.868 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.875 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.501 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.807 HG12 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.574 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.989 ' HB3' HD22 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.977 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.949 HG12 HD12 ' A' ' 181' ' ' LEU . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.733 ' H ' ' NE2' ' A' ' 209' ' ' GLN . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 1.072 HG22 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.718 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.977 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.718 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 1.072 ' NE1' HG22 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.93 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.899 HD13 HD13 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.884 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.911 ' OE1' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.866 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.549 HG23 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.666 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 167' ' ' GLN . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.476 ' OE1' HG23 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m -70.49 -37.65 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -34.45 67.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 5.1 t -56.0 -20.75 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.531 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.016 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 145' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.504 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.156 HD22 HG21 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.75 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 134' ' ' GLU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.016 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.83 HG12 HG21 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 155' ' ' ILE . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.701 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.496 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.572 ' CB ' HD23 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.768 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 183' ' ' GLN . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.659 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.75 HD13 HD12 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.754 ' HB2' HG22 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.878 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.715 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.736 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.686 HD23 HD11 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.156 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.696 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.041 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.684 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.725 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.725 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 221' ' ' ARG . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.857 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.6 ' OE2' HG23 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -32.2 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -65.55 -35.62 81.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 231' ' ' VAL . 75.2 t -75.05 -7.35 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.495 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.038 HD22 HG11 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.821 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.955 ' HB3' HD13 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.497 ' HB1' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.959 HD23 HD12 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.64 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.054 HD23 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.753 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.582 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 1.027 ' CD1' HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.61 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.997 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.954 HG23 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.691 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.56 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.766 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.997 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.766 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.882 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.965 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.515 ' O ' HG12 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.054 HG21 HD23 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.855 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.654 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.769 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.954 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.955 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.497 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.024 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 1.038 HG11 HD22 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.027 HG21 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 230' ' ' ARG . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t -68.52 -40.82 80.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 231' ' ' VAL . 3.0 ptt85 -78.7 -28.76 45.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.493 ' N ' ' HG3' ' A' ' 230' ' ' ARG . 0.3 OUTLIER -78.23 -11.05 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.577 HG21 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.901 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.804 ' CD1' HD22 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.94 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.94 ' H ' HG22 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.557 ' HA ' HD11 ' A' ' 172' ' ' LEU . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.901 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.513 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.577 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.759 HG21 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.958 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.701 ' HA ' HD21 ' A' ' 220' ' ' LEU . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.52 ' CD ' HD23 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.865 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.828 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.623 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.784 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.865 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.784 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.918 ' CH2' HD12 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.554 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.987 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.914 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.707 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.723 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.914 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.918 HD12 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 214' ' ' MET . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.875 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.958 HG13 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t -60.68 -41.72 95.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -72.33 -19.36 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 231' ' ' VAL . 46.6 t -98.67 10.59 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.862 HD12 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 1.061 HD23 HD12 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.55 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.55 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.061 HD12 HD23 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 1.055 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 1.055 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.514 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.505 ' HB3' HD22 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.804 HG21 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.57 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.686 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.613 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.056 ' CD1' HD13 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.901 HG23 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.929 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.056 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.881 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.548 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.909 HG21 HD23 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.852 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.422 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.719 HD12 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.901 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.862 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.986 ' OE1' HD22 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.562 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 219' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.944 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 226' ' ' SER . . . . . 0.497 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.52 ' HA ' HG12 ' A' ' 231' ' ' VAL . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t -69.11 -36.75 77.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.6 -19.94 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -108.3 -176.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 232' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 231' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.979 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB2' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.584 HD21 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.841 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.882 ' H ' HG22 ' A' ' 127' ' ' THR . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 148' ' ' LEU . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.661 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.821 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.646 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.488 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.77 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.548 HH21 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.953 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.634 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.907 HG22 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.77 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.907 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.953 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.725 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.616 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.403 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.71 HG23 HD13 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.653 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.857 ' HA ' HD12 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.971 HG13 HD13 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.516 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.826 HG11 HD22 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.783 ' CD ' HG12 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' A' ' 218' ' ' ALA . 10.5 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 231' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m -72.99 -15.19 61.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -87.03 -37.84 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 227' ' ' GLU . 4.4 m -79.96 -18.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 151' ' ' ALA . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.899 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.022 HD22 HD12 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.661 ' H ' HD12 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.578 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.799 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 4.2 t60 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.738 HD13 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.722 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.022 HD12 HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.494 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.899 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.917 HD21 HD12 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.891 HG13 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG23 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.73 HG23 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.567 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.928 ' HB3' HD22 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.735 ' O ' HD22 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' A' ' 176' ' ' ILE . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.923 HG12 HD12 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.657 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.971 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.605 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.066 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.843 ' HB2' HG23 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.779 ' NE1' HG22 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.735 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.971 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.799 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.666 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.889 HG23 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.889 HE22 HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.892 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.684 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.962 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.647 ' NH1' HG13 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 225' ' ' GLU . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m -72.6 -35.09 67.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.64 80.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 227' ' ' GLU . 54.9 t -43.16 -38.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.002 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.956 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CD ' ' HB2' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.993 HD12 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.733 HD12 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.733 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.509 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.647 ' HB2' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.802 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.862 HD12 HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.423 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.472 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.816 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.48 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.563 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.57 ' OG ' HG22 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.518 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.755 ' NH1' HD22 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.771 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.593 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.945 HG12 HD22 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG22 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.416 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.74 ' O ' HG12 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.945 HD22 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.9 ' HB2' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.587 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.993 ' CD1' HD12 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.015 ' CG2' HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.556 ' HA ' HD21 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.034 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.487 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.034 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' A' ' 228' ' ' VAL . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 226' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 230' ' ' ARG . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 231' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t -71.69 -33.26 68.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 226' ' ' SER . 6.0 mtp180 -65.25 -32.64 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 227' ' ' GLU . 72.1 t -53.85 -21.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.888 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.617 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.5 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.913 ' HA ' HD11 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.608 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 138' ' ' LEU . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.847 ' HA ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 143' ' ' GLY . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.888 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' A' ' 165' ' ' ARG . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.849 ' OG ' HG13 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.655 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.691 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.6 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.6 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.625 ' HG2' HD23 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.6 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.942 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.546 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.766 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.917 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.9 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.671 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.845 ' CH2' HD12 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.9 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.033 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.033 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.917 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.942 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 214' ' ' MET . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.799 ' HA ' HG13 ' A' ' 231' ' ' VAL . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -46.91 80.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 231' ' ' VAL . 0.0 OUTLIER -88.55 -37.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.799 HG13 ' HA ' ' A' ' 228' ' ' VAL . 0.0 OUTLIER 40.63 94.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.001 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.898 ' HB1' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.698 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.853 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.853 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.823 HD11 HD21 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 172' ' ' LEU . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.447 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 155' ' ' ILE . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.685 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 180' ' ' ALA . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.883 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.735 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 1.032 HG21 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.809 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.9 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.86 ' HB2' HG22 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.899 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 1.032 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.534 HG21 HD13 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.682 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.823 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.752 ' HA ' HD12 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.823 ' CG1' HD13 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.586 HE22 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.898 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.535 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.044 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.849 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m -72.35 -36.65 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -66.53 -36.79 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.33 -45.21 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.6 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.982 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.779 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.745 ' CD1' HD22 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.745 HD22 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.552 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.009 HD23 HG21 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.848 ' HG3' HD13 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.908 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.827 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.982 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.828 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.832 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.565 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 173' ' ' GLU . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 170' ' ' ARG . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.419 HH21 HG23 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.849 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.779 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.928 HG21 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.811 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.816 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.934 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 145' ' ' LEU . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.928 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.906 HD22 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.009 HG21 HD23 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.876 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.662 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' NE ' ' A' ' 203' ' ' ARG . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.876 ' CG1' HD13 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.662 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.54 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.571 HG11 HD22 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.01 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.513 ' N ' HD12 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m -72.32 -42.51 65.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.06 -34.72 57.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 51.3 t -45.8 -37.06 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.459 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.923 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.49 ' O ' ' HB1' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.738 ' CD2' HD22 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.562 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.795 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' GLY . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.772 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.923 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.75 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.598 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 224' ' ' VAL . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.561 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.555 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.76 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.022 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.643 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.56 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.795 ' HB2' HG22 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.795 ' O ' HD13 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.712 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.702 ' HB1' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.574 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.643 HD21 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.962 HG23 HD21 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.97 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.728 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.97 HD22 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.501 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.723 HD22 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.524 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.04 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 229' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 232' ' ' SER . 0.5 OUTLIER -73.06 -43.94 61.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -36.6 69.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 228' ' ' VAL . 0.3 OUTLIER -85.69 -15.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 232' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 229' ' ' SER . 33.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.772 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.927 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.518 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.518 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.061 HD22 HD21 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.825 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.77 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.927 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.741 ' HG ' HD21 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.777 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.437 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.941 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.739 HG23 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.478 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.612 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.913 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.948 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.842 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.822 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.842 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.543 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.948 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.621 HD22 HD13 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.858 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.692 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.692 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.061 HD21 HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.574 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.686 HG13 HD12 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.913 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.941 HG13 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.739 ' OE1' HG23 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m -72.56 -29.81 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -72.98 -35.59 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.97 -18.34 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' CB ' ' HE1' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.765 ' HA ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.889 HD21 HD23 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.566 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.523 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.914 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.7 HG12 HG11 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.62 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.78 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.709 ' HD2' HD11 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.654 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.927 HG21 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.747 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.78 HD22 HD12 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.856 ' HB2' HG22 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.883 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.612 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.927 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.423 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.773 HD22 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.914 ' CG2' HD13 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.672 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.825 HD12 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.69 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.472 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.722 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.926 ' N ' HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 223' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 155' ' ' ILE . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m -72.65 -34.56 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 230' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -52.43 -36.97 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.3 p -43.46 -27.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 232' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 230' ' ' ARG . 2.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.996 HG23 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.986 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.827 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.038 ' CD1' HD12 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB1' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.785 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.669 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.827 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.038 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.996 ' HA ' HG23 ' A' ' 113' ' ' THR . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' ILE . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.777 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.048 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.72 HH21 HE22 ' A' ' 209' ' ' GLN . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.952 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.878 HG12 HD22 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.81 HD13 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.855 ' HB2' HG22 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.612 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.878 HD22 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.819 ' HA ' HD23 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.872 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.872 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.952 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.72 HE22 HH21 ' A' ' 174' ' ' ARG . 0.0 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 211' ' ' HIS . . . . . 0.481 ' ND1' ' HB1' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.048 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.657 ' HE ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.462 ' HG3' HD21 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t -70.96 -25.2 62.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -73.46 -36.08 65.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.71 -53.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.898 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.674 ' HB3' HD13 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.539 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.693 ' HG2' HD13 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.831 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.807 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.807 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.844 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.608 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.898 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 156' ' ' ARG . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 224' ' ' VAL . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.812 HG23 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.013 HD22 HG13 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.738 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.816 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.844 ' O ' HD13 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.556 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.561 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.884 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.897 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.726 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.699 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.564 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.821 HG23 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.821 HE22 HG23 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.727 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.013 HG13 HD22 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.458 ' HE3' HG12 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.926 HG23 HD13 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.037 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.522 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.812 ' OE2' HG23 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m -62.24 -46.17 90.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -35.57 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 227' ' ' GLU . 79.3 t -60.62 -30.57 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.873 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' HA ' ' NH1' ' A' ' 221' ' ' ARG . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.636 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.8 HD21 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.866 ' CD2' HG21 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.796 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLY . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.873 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.603 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.696 HG12 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.696 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.535 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.053 HD12 HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.477 HH21 HG23 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.835 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.616 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.944 HD11 HD13 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.888 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.053 HD13 HD12 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.943 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.944 HD13 HD11 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.866 HG21 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.695 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.695 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.019 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 1.019 HG13 HD13 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.835 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.562 ' HA ' HD21 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.006 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.505 ' CD ' HG12 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p -72.54 -38.68 67.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -36.76 62.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.06 -58.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.683 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.712 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.855 HD12 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.724 HD22 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.831 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.714 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.528 ' HA ' HD11 ' A' ' 172' ' ' LEU . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.641 HD12 HD12 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG11 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.611 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.76 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.771 ' HB3' HD22 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.033 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.852 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.741 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.852 HG21 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.891 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.033 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ2' HD12 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.852 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.723 HD23 HD11 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.624 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.684 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.871 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 205' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.871 ' CG1' HD13 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.568 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.63 ' HG2' ' HB2' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.813 HG12 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.056 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.813 ' HD2' HG12 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.056 HG23 ' O ' ' A' ' 220' ' ' LEU . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 1.001 ' O ' HG13 ' A' ' 231' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' ARG . . . . . 0.42 ' C ' ' CG2' ' A' ' 231' ' ' VAL . 16.3 mtt-85 -91.54 -33.34 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 1.001 HG13 ' O ' ' A' ' 228' ' ' VAL . 1.6 m 40.78 90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 1.109 HD11 HD22 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.599 ' O ' HG22 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD13 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.64 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.64 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.786 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.764 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 145' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.479 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 1.109 HD22 HD11 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.839 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.635 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.679 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 0.851 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.777 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.617 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.721 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.747 ' HB2' HG23 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.834 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.625 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.922 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.58 ' CG2' HD13 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 1.126 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.917 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 218' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 222' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 0.839 HG13 ' OG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m -59.88 -28.3 67.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -82.08 -34.73 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 73.2 t -43.86 -36.63 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.06 179.979 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.718 ' O ' HG21 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.781 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.823 ' HB3' HD22 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.747 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.553 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.568 ' HA ' HD11 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.609 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.709 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.665 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.078 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.836 HD11 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.94 HD13 HD22 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.824 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.078 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.824 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.901 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' THR . . . . . 0.499 ' N ' HG22 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.94 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.062 HG21 HD22 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 196' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 1.039 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.722 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.039 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 0.774 HG23 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.774 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 1.029 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 219' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 225' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -38.73 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -35.89 76.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 76.6 t -48.44 -41.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.842 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.905 HD12 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.568 HD21 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.695 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.695 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.908 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 172' ' ' LEU . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.842 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 168' ' ' ALA . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.844 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.603 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.885 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.408 HE22 HG22 ' A' ' 231' ' ' VAL . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' GLU . . . . . 0.611 ' H ' HG12 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 164' ' ' SER . . . . . 0.755 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.568 ' CD ' HD23 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 168' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.844 HG23 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' GLY . . . . . 0.683 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 179' ' ' ILE . . . . . 0.939 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.815 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 1.076 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' GLN . . . . . 0.815 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.932 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.606 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 191' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.987 HD23 HD11 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.619 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 199' ' ' SER . . . . . 0.679 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 200' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 1.118 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 203' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 204' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 206' ' ' ILE . . . . . 1.118 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 209' ' ' GLN . . . . . 0.844 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.502 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 223' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 224' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.555 ' OE1' HG23 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 228' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p -72.57 -34.79 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -63.42 -35.73 81.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 227' ' ' GLU . 27.5 t -47.18 -48.07 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.977 HD21 HD22 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.6 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.888 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.888 ' H ' HG22 ' A' ' 127' ' ' THR . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.7 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.716 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.977 HD22 HD21 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.453 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.682 ' CD1' HG21 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.93 ' OG ' HG13 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.538 ' HB3' HD22 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.062 HD11 HG13 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.925 HG23 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.543 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.585 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.914 HG21 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.901 ' HB2' HG22 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.914 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 193' ' ' GLN . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.591 HD23 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.978 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.713 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.713 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.806 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.806 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.925 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.062 HG13 HD11 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.93 HG13 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.686 ' HA ' HG22 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.965 HD21 HD22 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.056 HD23 HD12 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.056 HD12 HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.614 HD13 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.965 HD22 HD21 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.691 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.747 HD12 HD23 ' A' ' 117' ' ' LEU . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.852 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.643 HG23 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.516 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 224' ' ' VAL . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.933 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.958 HG23 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.712 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.919 HD13 HD13 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.798 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.919 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.678 ' CG2' HD23 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.132 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 1.132 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.958 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.56 ' HA ' HD21 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.643 ' CD ' HG23 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.875 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.879 HD12 HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.868 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.875 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.501 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.807 HG12 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.574 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.989 ' HB3' HD22 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.977 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 1.061 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.684 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 1.072 HG22 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.718 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.977 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.718 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 1.072 ' NE1' HG22 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.93 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.899 HD13 HD13 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.884 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 1.061 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.866 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.549 HG23 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.666 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 167' ' ' GLN . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.476 ' OE1' HG23 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.531 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.016 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 145' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 211' ' ' HIS . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.504 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.156 HD22 HG21 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.75 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 134' ' ' GLU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 1.016 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.83 HG12 HG21 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 155' ' ' ILE . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.701 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.496 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.572 ' CB ' HD23 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.768 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 183' ' ' GLN . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.659 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.75 HD13 HD12 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.754 ' HB2' HG22 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.878 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.715 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.736 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.686 HD23 HD11 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.156 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.696 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.041 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.684 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.424 ' HD2' ' HB1' ' A' ' 124' ' ' ALA . 14.3 t-160 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.725 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.725 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 221' ' ' ARG . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.857 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.6 ' OE2' HG23 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.495 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.038 HD22 HG11 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.821 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.955 ' HB3' HD13 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.497 ' HB1' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.959 HD23 HD12 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.64 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.054 HD23 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.753 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.582 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 1.027 ' CD1' HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.61 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.997 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.954 HG23 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.691 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.56 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.766 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.997 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.766 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.882 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.965 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.515 ' O ' HG12 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.054 HG21 HD23 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.855 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.654 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.769 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.954 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.955 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.497 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.024 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 1.038 HG11 HD22 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.027 HG21 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.577 HG21 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.901 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.577 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.804 ' CD1' HD22 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 211' ' ' HIS . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.94 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.94 ' H ' HG22 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.557 ' HA ' HD11 ' A' ' 172' ' ' LEU . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.901 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.513 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.577 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.759 HG21 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.958 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.701 ' HA ' HD21 ' A' ' 220' ' ' LEU . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.52 ' CD ' HD23 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.865 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.828 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.623 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.784 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.865 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.784 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.918 ' CH2' HD12 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.554 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.987 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.914 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.707 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.723 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.914 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.918 HD12 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.706 ' HD2' ' HB1' ' A' ' 124' ' ' ALA . 53.9 t-80 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 214' ' ' MET . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.875 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.958 HG13 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.862 HD12 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 1.061 HD23 HD12 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.55 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.55 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.061 HD12 HD23 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 1.055 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 1.055 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.514 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.505 ' HB3' HD22 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.804 HG21 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.57 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.686 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.613 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.056 ' CD1' HD13 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.901 HG23 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.929 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.056 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.881 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.548 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.909 HG21 HD23 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.852 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.422 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.719 HD12 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.901 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.862 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.986 ' OE1' HD22 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.562 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.944 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . 0.497 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.979 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB2' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.584 HD21 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.841 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.882 ' H ' HG22 ' A' ' 127' ' ' THR . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 148' ' ' LEU . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.661 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.821 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.646 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.488 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.77 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.548 HH21 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.953 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.634 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.907 HG22 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.77 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.907 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.953 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.725 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.616 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.403 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.71 HG23 HD13 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.653 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.857 ' HA ' HD12 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.971 HG13 HD13 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.826 HG11 HD22 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.624 ' HB1' ' NE2' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.783 ' CD ' HG12 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.624 ' NE2' ' HB1' ' A' ' 218' ' ' ALA . 27.2 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.451 ' OE1' HG23 ' A' ' 161' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 151' ' ' ALA . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.426 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.899 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.022 HD22 HD12 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.661 ' H ' HD12 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.578 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.799 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.7 t-80 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.738 HD13 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.722 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.022 HD12 HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.494 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.899 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.917 HD21 HD12 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.891 HG13 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG23 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.73 HG23 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.567 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.928 ' HB3' HD22 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.735 ' O ' HD22 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' A' ' 176' ' ' ILE . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.923 HG12 HD12 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.657 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.971 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.605 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.066 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.843 ' HB2' HG23 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.779 ' NE1' HG22 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.735 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.971 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.799 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.666 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.889 HG23 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.889 HE22 HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.892 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.684 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.962 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.647 ' NH1' HG13 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 225' ' ' GLU . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.956 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CD ' ' HB2' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.993 HD12 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.733 HD12 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.733 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.509 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.647 ' HB2' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.802 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.862 HD12 HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.423 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.472 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.816 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.48 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.563 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.57 ' OG ' HG22 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.518 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.755 ' NH1' HD22 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.771 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.593 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.945 HG12 HD22 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG22 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.416 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.74 ' O ' HG12 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.945 HD22 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.9 ' HB2' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.587 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.993 ' CD1' HD12 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.015 ' CG2' HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.556 ' HA ' HD21 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.034 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.487 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.034 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' A' ' 228' ' ' VAL . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.473 ' CD ' HG23 ' A' ' 161' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.888 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.617 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.5 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.913 ' HA ' HD11 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.608 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 138' ' ' LEU . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.847 ' HA ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 143' ' ' GLY . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.888 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' A' ' 165' ' ' ARG . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.849 ' OG ' HG13 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.655 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.691 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.6 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.6 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.625 ' HG2' HD23 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.6 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.942 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.546 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.766 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.917 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.9 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.671 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.845 ' CH2' HD12 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.9 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.033 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.033 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.917 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.594 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 5.0 t-160 -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.942 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 214' ' ' MET . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.001 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.898 ' HB1' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.698 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.853 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.853 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.823 HD11 HD21 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 172' ' ' LEU . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.447 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 155' ' ' ILE . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.685 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 180' ' ' ALA . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.883 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.735 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 1.032 HG21 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.809 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.9 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.86 ' HB2' HG22 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.899 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 1.032 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.534 HG21 HD13 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.682 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.823 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.752 ' HA ' HD12 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.823 ' CG1' HD13 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.534 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.898 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.535 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.044 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.849 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.6 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.982 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.779 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.745 ' CD1' HD22 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.745 HD22 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.552 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.009 HD23 HG21 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.848 ' HG3' HD13 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.908 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.827 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.982 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.828 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.832 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.565 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 173' ' ' GLU . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 170' ' ' ARG . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.419 HH21 HG23 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.849 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.779 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.928 HG21 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.811 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.816 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.934 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 145' ' ' LEU . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.928 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.906 HD22 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.009 HG21 HD23 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.876 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.662 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' NE ' ' A' ' 203' ' ' ARG . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.876 ' CG1' HD13 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.662 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.549 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.401 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 13.6 t-160 -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.571 HG11 HD22 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.01 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.513 ' N ' HD12 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.459 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.923 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.49 ' O ' ' HB1' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.738 ' CD2' HD22 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.562 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.795 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' GLY . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.772 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.923 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.75 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.598 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 224' ' ' VAL . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.561 ' C ' ' CD ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.555 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.76 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.022 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.643 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.56 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.795 ' HB2' HG22 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.795 ' O ' HD13 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.712 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.702 ' HB1' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.574 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.643 HD21 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.962 HG23 HD21 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.97 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.728 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.97 HD22 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.501 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.684 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.2 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.723 HD22 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.524 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.04 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.772 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.927 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.518 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.518 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.061 HD22 HD21 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.825 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.77 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.927 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.741 ' HG ' HD21 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.777 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.437 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.941 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.739 HG23 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.478 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.612 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.913 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.948 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.842 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.822 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.842 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.543 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.948 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.621 HD22 HD13 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.858 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.692 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.692 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.061 HD21 HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.574 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.686 HG13 HD12 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.913 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.941 HG13 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.739 ' OE1' HG23 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.472 ' CB ' ' HE1' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.765 ' HA ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.889 HD21 HD23 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.566 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.523 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.914 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.7 HG12 HG11 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.62 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.78 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.709 ' HD2' HD11 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.654 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.927 HG21 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.747 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.78 HD22 HD12 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.856 ' HB2' HG22 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.883 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.612 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.927 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.423 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.773 HD22 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.914 ' CG2' HD13 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.672 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.825 HD12 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.69 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.472 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.722 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.926 ' N ' HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 155' ' ' ILE . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.996 HG23 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.986 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.827 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.038 ' CD1' HD12 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB1' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.785 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.669 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.827 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.038 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.996 ' HA ' HG23 ' A' ' 113' ' ' THR . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' ILE . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.777 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.048 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.952 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.878 HG12 HD22 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.81 HD13 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.855 ' HB2' HG22 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.612 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.878 HD22 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.819 ' HA ' HD23 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.872 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.872 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.952 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.539 ' NE2' HD12 ' A' ' 176' ' ' ILE . 0.1 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.481 ' ND1' ' HB1' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.048 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.657 ' HE ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.462 ' HG3' HD21 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.898 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.674 ' HB3' HD13 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.539 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.693 ' HG2' HD13 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.831 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.807 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.807 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.844 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.608 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.898 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 156' ' ' ARG . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 224' ' ' VAL . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.812 HG23 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.013 HD22 HG13 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.738 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.816 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.844 ' O ' HD13 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.556 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.561 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.884 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.897 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.726 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.699 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.564 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.821 HG23 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.821 HE22 HG23 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.727 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.013 HG13 HD22 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.458 ' HE3' HG12 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.926 HG23 HD13 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.037 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.522 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.812 ' OE2' HG23 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.873 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' HA ' ' NH1' ' A' ' 221' ' ' ARG . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.636 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.8 HD21 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.866 ' CD2' HG21 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.796 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLY . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.873 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.603 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.696 HG12 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.696 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.535 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.053 HD12 HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.477 HH21 HG23 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.835 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.616 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.944 HD11 HD13 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.888 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.053 HD13 HD12 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.943 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.944 HD13 HD11 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.866 HG21 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.695 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.695 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.019 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 1.019 HG13 HD13 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.835 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.562 ' HA ' HD21 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.006 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.505 ' CD ' HG12 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.683 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.712 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.855 HD12 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.724 HD22 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.831 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.714 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.528 ' HA ' HD11 ' A' ' 172' ' ' LEU . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.641 HD12 HD12 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG11 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.611 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.76 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.771 ' HB3' HD22 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.033 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.852 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.741 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.852 HG21 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.891 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.033 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ2' HD12 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.852 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.723 HD23 HD11 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.624 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.684 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.871 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.871 ' CG1' HD13 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.568 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.63 ' HG2' ' HB2' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.813 HG12 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.056 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.813 ' HD2' HG12 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.056 HG23 ' O ' ' A' ' 220' ' ' LEU . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.967 HG23 ' O ' ' A' ' 224' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 1.109 HD11 HD22 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.599 ' O ' HG22 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD13 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.64 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.64 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.786 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.764 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 145' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.479 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 1.109 HD22 HD11 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.839 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.635 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.679 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 0.851 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.777 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.617 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.721 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.747 ' HB2' HG23 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.834 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.625 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.922 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.58 ' CG2' HD13 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 1.126 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.917 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 0.839 HG13 ' OG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.718 ' O ' HG21 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.781 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.823 ' HB3' HD22 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.747 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.553 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.568 ' HA ' HD11 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.609 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.709 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.665 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.078 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.836 HD11 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.94 HD13 HD22 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.824 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.078 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.824 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.901 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . 0.499 ' N ' HG22 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.94 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.062 HG21 HD22 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 1.039 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.722 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.039 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 0.774 HG23 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.774 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 20.8 t-160 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 1.029 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.842 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.905 HD12 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.568 HD21 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.695 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.695 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.908 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 172' ' ' LEU . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.842 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 168' ' ' ALA . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.844 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.603 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.885 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . 0.611 ' H ' HG12 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . 0.755 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.568 ' CD ' HD23 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.844 HG23 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' GLY . . . . . 0.683 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' ILE . . . . . 0.939 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.815 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 1.076 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' GLN . . . . . 0.815 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.932 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.606 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 191' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.987 HD23 HD11 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.619 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 199' ' ' SER . . . . . 0.679 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 200' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 1.118 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 203' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 204' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 206' ' ' ILE . . . . . 1.118 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 209' ' ' GLN . . . . . 0.844 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.502 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 223' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 224' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.555 ' OE1' HG23 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 228' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 87.6 mtp -59.37 -38.39 80.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -37.64 85.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.383 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -37.73 88.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 ttpp -58.82 -42.29 88.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.425 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.64 -35.25 89.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.977 HD21 HD22 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -79.15 -28.22 42.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -43.06 80.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.6 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.1 OUTLIER -59.92 -31.17 69.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.844 ' HA ' HD23 ' A' ' 123' ' ' LEU . . . -54.27 -25.5 23.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.0 t -55.19 -29.23 57.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -72.49 -32.95 66.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.844 HD23 ' HA ' ' A' ' 120' ' ' ALA . 1.1 mm? -58.47 -31.91 68.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.81 -18.13 64.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 75.9 p -116.73 26.38 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.7 HD21 ' HG ' ' A' ' 131' ' ' LEU . 64.5 tp -62.37 167.83 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.888 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -141.64 175.94 2.71 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.786 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 127' ' ' THR . 0.0 OUTLIER -61.21 -46.52 90.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.888 ' H ' HG22 ' A' ' 127' ' ' THR . . . -75.54 -20.79 78.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.7 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -59.44 -38.94 81.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.74 -33.03 23.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.74 -63.48 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.847 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.1 OUTLIER -46.93 -34.78 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 13.2 t60 -56.2 -50.52 70.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 34.4 t -61.89 -47.41 85.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -72.75 -44.69 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.777 ' N ' ' O ' ' A' ' 134' ' ' GLU . 0.8 OUTLIER -68.15 -11.08 58.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.76 3.13 24.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 36.0 m -94.8 -165.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.87 116.41 9.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.5 t0 86.61 -11.15 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.55 128.01 0.78 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.695 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -61.87 -35.41 78.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 0.765 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.716 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.4 OUTLIER -70.86 -42.47 70.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 37.3 ttt85 -75.56 -41.12 55.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.8 p -63.83 -30.94 71.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.597 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.3 -46.54 89.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.8 t -68.35 -41.17 81.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.51 -45.81 71.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.853 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.1 -34.46 68.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.977 HD22 HD21 ' A' ' 117' ' ' LEU . 0.7 OUTLIER -68.61 -50.96 47.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.76 -33.98 70.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.453 ' O ' ' HA3' ' A' ' 158' ' ' GLY . . . -64.5 -32.11 83.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.682 ' CD1' HG21 ' A' ' 224' ' ' VAL . 8.3 mt -77.38 -34.51 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 165' ' ' ARG . 39.5 mtp85 -54.4 -35.83 63.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.56 8.31 10.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 154' ' ' GLY . . . -102.73 -26.61 7.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.571 1.169 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.93 ' OG ' HG13 ' A' ' 224' ' ' VAL . 3.7 m -93.52 141.06 28.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 0.731 . . . . 0.0 109.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -92.77 29.72 1.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 163' ' ' GLU . 99.1 t -135.45 126.59 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 13.8 pt-20 -55.62 -26.29 43.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.665 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.8 tp10 -66.77 -40.44 88.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.606 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 73.6 m -60.2 -45.95 91.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.474 ' O ' ' NH1' ' A' ' 156' ' ' ARG . 17.0 ptp180 -70.68 -40.73 72.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 27.9 mt -63.88 -42.76 96.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.538 ' HB3' HD22 ' A' ' 220' ' ' LEU . 4.5 mt-30 -69.62 -42.99 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.252 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.541 ' HB1' HD12 ' A' ' 152' ' ' LEU . . . -69.28 -47.84 63.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.422 ' HA3' ' NH1' ' A' ' 156' ' ' ARG . . . -56.78 -46.12 90.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.1 OUTLIER -56.25 -34.41 66.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.062 HD11 HG13 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -77.38 -43.83 31.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.759 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -62.15 -26.11 68.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 -6.34 33.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.62 150.1 48.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.98 98.8 9.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.925 HG23 ' NE2' ' A' ' 209' ' ' GLN . 1.1 mp -85.08 137.11 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.543 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.02 22.34 1.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.585 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 93.31 -4.74 74.16 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.914 HG21 ' N ' ' A' ' 191' ' ' ALA . 28.9 mm -120.2 131.12 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.49 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.93 144.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 171' ' ' LEU . 3.6 tp -57.67 -42.26 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -18.59 2.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.901 ' HB2' HG22 ' A' ' 179' ' ' ILE . 63.8 mm-40 -84.5 -40.82 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.765 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 87.0 m95 -76.02 36.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 107.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -152.87 18.12 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 12.4 t -168.19 151.05 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.7 t -90.67 154.49 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 83.43 17.95 65.36 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.99 -164.29 26.81 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.637 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -80.72 -33.4 35.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.914 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.77 -41.83 70.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 195' ' ' VAL . 11.1 t -56.93 -43.52 81.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.939 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . 0.484 ' CD ' ' C ' ' A' ' 193' ' ' GLN . 0.3 OUTLIER -69.57 -39.34 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.591 HD23 HG12 ' A' ' 179' ' ' ILE . 0.1 OUTLIER -57.5 -46.92 83.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.978 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.7 p -68.47 -33.21 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -54.86 -27.04 39.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.54 -74.73 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -79.91 140.52 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.713 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -127.1 -66.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.713 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.97 -39.02 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -43.52 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.978 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.15 -46.27 85.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.806 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.15 -27.69 67.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.479 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 4.4 mmt180 -80.44 -52.26 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.1 -52.14 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 202' ' ' LEU . 5.4 mm -53.24 -47.14 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.806 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 30.2 m -62.59 -45.91 90.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.7 t70 -57.72 -38.06 74.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.925 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.81 -39.34 64.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 123' ' ' LEU . 2.9 mt -60.34 -44.92 95.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -59.35 -39.1 82.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -72.45 -33.17 66.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.062 HG13 HD11 ' A' ' 171' ' ' LEU . 24.5 t -62.36 -41.5 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 2.3 tpt -67.91 -32.49 72.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 6.1 t -56.77 -46.63 81.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 220' ' ' LEU . 0.3 OUTLIER -70.21 -34.7 73.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 221' ' ' ARG . 33.1 t -62.31 -32.98 56.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.65 81.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.86 -48.04 78.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.822 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -72.85 -38.28 67.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 217' ' ' VAL . 0.1 OUTLIER -57.63 -54.91 41.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.68 -32.7 67.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -63.93 -39.94 95.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.93 HG13 ' OG ' ' A' ' 159' ' ' SER . 2.2 t -66.38 -47.67 83.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.686 ' HA ' HG22 ' A' ' 228' ' ' VAL . 4.0 tt0 -58.15 -33.18 68.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.11 -36.59 83.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 231' ' ' VAL . 7.6 mt-10 -73.31 -47.57 41.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.686 HG22 ' HA ' ' A' ' 225' ' ' GLU . 10.8 m -70.73 -28.44 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.2 m -72.6 -47.34 48.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 41.6 mtp180 -55.06 -33.9 63.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 227' ' ' GLU . 50.2 t -55.12 -20.33 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.12 -34.71 73.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 151' ' ' ALA . 0.9 OUTLIER -66.77 -37.52 84.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.428 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -44.05 81.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.78 -34.29 86.34 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.747 HD23 HD12 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -79.04 -34.56 43.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 0.729 . . . . 0.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.426 ' OD1' ' NH1' ' A' ' 221' ' ' ARG . 0.2 OUTLIER -58.2 -26.71 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 5.5 tptp -60.41 -30.68 69.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' ' 123' ' ' LEU . . . -53.95 -24.19 15.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.1 m -57.66 -29.25 64.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.493 ' O ' HG22 ' A' ' 125' ' ' THR . 0.7 OUTLIER -73.79 -50.78 18.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.965 HD21 HD22 ' A' ' 148' ' ' LEU . 1.6 pp -60.63 -30.1 69.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.364 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 123' ' ' LEU . . . -61.92 -20.83 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.0 t -118.99 23.38 11.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 0.0 110.412 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.056 HD23 HD12 ' A' ' 131' ' ' LEU . 11.9 tp -46.64 172.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -142.98 -176.91 0.6 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.385 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.02 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -75.45 -30.13 59.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.903 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.39 -46.67 9.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.056 HD12 HD23 ' A' ' 126' ' ' LEU . 0.7 OUTLIER -55.7 -22.84 25.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.98 -49.28 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -99.44 -46.82 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 130' ' ' GLY . 24.3 tt0 -56.9 -40.59 76.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.566 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.46 -49.43 74.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.579 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.87 -44.1 94.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -72.74 -45.7 57.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.614 HD13 ' HG2' ' A' ' 134' ' ' GLU . 6.0 mp -70.8 -7.4 44.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -108.03 0.14 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.34 -154.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -73.1 121.37 7.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t70 85.49 -11.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 138' ' ' LEU . . . -48.87 135.88 20.21 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -57.48 -39.95 77.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.0 mt -66.16 -33.21 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 5.4 ttt85 -80.75 -40.25 25.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.434 ' OG ' ' HB3' ' A' ' 119' ' ' LYS . 85.9 p -64.5 -32.83 74.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.965 HD22 HD21 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -65.35 -45.59 83.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.505 ' HA ' HD11 ' A' ' 172' ' ' LEU . 65.2 m -64.33 -41.15 96.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -44.74 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.691 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -57.5 -35.54 70.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 220' ' ' LEU . 17.8 mt -69.55 -49.99 49.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.456 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.17 -34.54 70.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -66.61 -31.96 80.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.747 HD12 HD23 ' A' ' 117' ' ' LEU . 1.9 mt -77.0 -35.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.2 -34.67 66.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.92 6.98 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.05 -30.59 4.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.852 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -87.16 140.21 29.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -86.39 14.68 6.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.643 HG23 ' CD ' ' A' ' 227' ' ' GLU . 42.0 t -120.54 134.05 65.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.2 OUTLIER -65.59 -31.71 72.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.516 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mt-10 -59.61 -35.11 73.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 224' ' ' VAL . 2.7 m -63.74 -44.46 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 169' ' ' GLY . 66.1 ttt180 -68.31 -37.29 80.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.354 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 17.9 mt -68.65 -42.21 83.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 9.6 mm100 -68.3 -49.05 63.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -69.46 -46.72 66.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.91 -50.88 61.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 174' ' ' ARG . 0.0 OUTLIER -56.5 -35.03 67.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 110.306 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.933 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.92 -42.38 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -62.28 -21.02 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -111.96 -7.12 14.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 5.2 ttt180 -66.57 142.05 57.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.56 134.07 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.958 HG23 ' CD ' ' A' ' 209' ' ' GLN . 27.9 mm -129.19 135.98 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.712 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 46.1 22.72 0.94 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.26 -4.05 70.06 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.919 HD13 HD13 ' A' ' 194' ' ' LEU . 0.7 OUTLIER -127.26 147.32 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.798 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -47.05 141.08 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.933 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -59.16 -46.35 88.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -14.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.798 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 0.7 OUTLIER -85.02 -39.7 17.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.24 -10.03 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -103.92 18.51 46.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.0 m -147.08 148.47 31.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 0.727 . . . . 0.0 110.381 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 7.6 m -99.29 133.89 42.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.2 8.18 55.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.34 -162.49 38.27 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -81.56 -35.57 30.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.911 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.6 -48.43 72.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.502 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 7.6 t -57.06 -40.52 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.19 -39.98 78.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.919 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -58.63 -47.97 82.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.678 ' CG2' HD23 ' A' ' 131' ' ' LEU . 7.6 p -64.95 -31.5 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.64 -37.99 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -71.91 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -92.32 136.11 33.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.61 -64.63 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.0 -39.78 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -41.82 67.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.132 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.73 -44.81 61.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.704 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.0 OUTLIER -59.11 -50.82 72.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.6 mmt180 -57.6 -47.38 82.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -73.83 -52.29 13.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 1.132 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.4 mm -58.32 -44.18 87.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.704 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 94.6 m -61.61 -46.8 88.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 9.9 t0 -57.09 -39.29 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.958 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.99 -40.07 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.744 HD13 ' HB2' ' A' ' 123' ' ' LEU . 3.4 mt -58.56 -44.88 89.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -59.13 -38.57 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -32.47 69.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 176' ' ' ILE . 2.2 t -61.93 -44.59 99.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 1.6 tpt -61.39 -36.78 81.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.1 t -56.83 -46.94 81.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.82 -34.88 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.56 ' HA ' HD21 ' A' ' 220' ' ' LEU . 44.1 t -63.91 -33.0 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 222' ' ' GLN . . . -66.27 -25.53 66.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.66 -47.38 32.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.969 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.1 pp -72.14 -43.56 64.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 24.4 mtm180 -57.72 -51.44 69.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 0.1 OUTLIER -57.44 -33.03 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.8 70.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.969 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.0 t -72.87 -46.64 52.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -56.08 -36.53 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.2 t -61.15 -43.68 98.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.643 ' CD ' HG23 ' A' ' 161' ' ' VAL . 26.6 mt-10 -67.14 -41.77 85.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 224' ' ' VAL . 40.0 t -59.35 -30.54 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 36.9 m -71.24 -41.92 69.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -68.62 -35.28 77.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 227' ' ' GLU . 51.6 t -55.13 -21.51 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.047 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 44.2 tpp -65.07 -34.16 77.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.973 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 151' ' ' ALA . 36.3 m -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.429 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 225' ' ' GLU . 0.0 OUTLIER -55.79 -38.67 70.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -68.02 -34.5 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.14 -35.64 91.13 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.507 1.13 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.875 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -77.39 -27.12 52.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 0.728 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.24 -47.02 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -35.81 80.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.93 -25.08 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 19.6 t -55.12 -30.2 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.03 -37.12 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.879 HD12 HD22 ' A' ' 126' ' ' LEU . 0.8 OUTLIER -58.94 -23.13 61.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -69.65 -17.43 63.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 13.5 t -129.18 34.5 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.879 HD22 HD12 ' A' ' 123' ' ' LEU . 2.8 tp -60.43 -176.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.868 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER -162.32 173.46 4.47 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.428 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.794 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -44.48 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 127' ' ' THR . 15.3 tt0 -60.02 -43.46 95.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.917 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.63 -29.7 57.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -53.61 -32.14 49.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.39 -37.02 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.34 -58.07 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.917 ' N ' ' O ' ' A' ' 130' ' ' GLY . 17.6 mm-40 -49.55 -39.95 36.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 48.7 t60 -55.93 -49.18 74.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.82 -45.78 84.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -72.0 -46.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.9 mp -68.65 -6.83 28.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.52 -0.82 17.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 m -88.0 -166.55 1.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.2 117.8 12.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.4 t70 84.43 -7.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.2 144.61 0.09 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.93 -44.39 80.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -70.13 -32.88 71.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.428 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 29.5 ttt85 -80.16 -36.13 35.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -68.89 -36.49 78.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -62.71 -45.83 90.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.479 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.1 m -70.45 -37.12 74.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.69 -46.6 52.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.875 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.89 -42.33 97.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.739 HD11 HG22 ' A' ' 217' ' ' VAL . 10.0 mt -60.16 -50.04 75.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.501 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.16 -39.64 79.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.68 -31.43 80.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.807 HG12 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -77.94 -34.17 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.781 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 60.9 ttt180 -63.8 -27.57 69.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.71 4.5 11.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -19.37 5.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 96.9 p -75.68 139.8 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -87.88 15.05 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.574 HG12 ' H ' ' A' ' 163' ' ' GLU . 33.7 t -138.6 135.11 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.65 -28.6 69.72 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.574 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.0 mm-40 -59.89 -34.39 73.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.447 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.3 m -70.75 -44.39 66.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.963 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 0.2 OUTLIER -66.92 -42.6 85.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.5 ' N ' ' HG2' ' A' ' 165' ' ' ARG . 4.0 mm -63.3 -42.39 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.989 ' HB3' HD22 ' A' ' 220' ' ' LEU . 1.9 mt-30 -70.11 -48.95 55.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' A' ' 220' ' ' LEU . . . -63.74 -49.85 71.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -45.93 86.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -57.77 -35.86 71.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.977 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -76.67 -39.59 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.55 -20.76 65.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.44 -8.85 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 213' ' ' VAL . 0.4 OUTLIER -60.95 143.43 55.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.39 100.58 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 1.061 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -87.69 140.31 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.684 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 47.83 19.61 0.98 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.75 -5.36 66.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 1.072 HG22 ' NE1' ' A' ' 184' ' ' TRP . 0.4 OUTLIER -122.77 140.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.718 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.41 140.98 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.977 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.22 -47.6 83.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -53.07 -17.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.718 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 32.5 mm-40 -82.91 -38.57 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 1.072 ' NE1' HG22 ' A' ' 179' ' ' ILE . 97.2 m95 -71.98 -3.77 24.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -105.91 15.75 43.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.428 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.5 m -145.91 160.7 41.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -108.55 130.56 55.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.81 13.03 33.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.77 178.15 33.46 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.25 -31.95 70.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.93 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.43 -47.96 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 195' ' ' VAL . 9.2 t -56.75 -45.45 82.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -68.66 -35.22 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.899 HD13 HD13 ' A' ' 179' ' ' ILE . 0.9 OUTLIER -61.68 -48.02 82.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.946 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -67.88 -27.39 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -38.55 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.89 -74.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.884 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -91.47 136.6 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.675 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.25 -65.23 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.675 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -38.42 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -35.2 63.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.946 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.84 -45.47 50.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.743 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.1 OUTLIER -58.25 -34.5 70.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.548 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 9.2 mtp180 -71.94 -49.26 39.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -76.01 -38.52 57.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.854 ' CD1' ' CH2' ' A' ' 184' ' ' TRP . 0.9 OUTLIER -68.85 -46.82 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.743 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -63.22 -40.73 98.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.362 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -44.26 77.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 1.061 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.45 -39.47 62.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.866 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.07 -44.28 91.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -61.9 -38.56 88.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.589 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -73.76 -32.82 64.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.549 HG23 HH21 ' A' ' 174' ' ' ARG . 2.4 t -67.8 -41.7 85.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.12 -39.27 91.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.2 t -57.12 -47.42 81.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.2 tt0 -71.28 -35.05 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.739 HG22 HD11 ' A' ' 152' ' ' LEU . 3.0 t -61.8 -32.3 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.666 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.05 -26.61 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.62 -34.04 60.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 167' ' ' GLN . 0.5 OUTLIER -71.79 -50.13 32.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.666 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.84 -48.19 80.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -56.17 -33.11 64.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.52 65.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -67.9 -45.55 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.474 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 3.3 tt0 -56.1 -41.01 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 57.9 m -56.71 -41.81 78.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.476 ' OE1' HG23 ' A' ' 161' ' ' VAL . 24.0 mt-10 -74.21 -36.14 63.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 224' ' ' VAL . 50.2 t -59.27 -39.15 78.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.3 m -70.49 -37.65 74.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -34.45 67.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 5.1 t -56.0 -20.75 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.992 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.95 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 57.2 mtp -64.5 -35.82 82.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -61.03 -39.17 88.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.98 -45.72 78.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -62.27 -33.99 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.531 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.65 -37.21 93.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.016 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.21 -24.74 46.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.354 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -45.69 90.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -37.39 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -56.36 -25.14 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.0 t -55.68 -35.8 66.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.484 ' O ' HG22 ' A' ' 125' ' ' THR . 1.6 mt-10 -67.78 -32.89 73.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.735 HD22 ' HG ' ' A' ' 145' ' ' LEU . 20.2 mt -59.23 -31.66 69.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.424 ' HB1' ' HD2' ' A' ' 211' ' ' HIS . . . -60.31 -20.36 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.8 t -121.99 31.29 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.627 HD21 ' HG ' ' A' ' 131' ' ' LEU . 55.0 tp -55.55 169.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.55 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -131.63 175.15 3.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.435 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.504 ' CD ' ' HD2' ' A' ' 203' ' ' ARG . 18.6 Cg_endo -74.91 -45.66 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -31.37 64.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.717 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.55 -27.72 58.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.156 HD22 HG21 ' A' ' 195' ' ' VAL . 2.0 tt -56.09 -44.38 78.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.35 -49.92 8.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -70.61 -58.65 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.73 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.3 OUTLIER -60.83 -15.86 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.75 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -57.95 -51.21 70.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.59 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.3 t -69.76 -40.23 76.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -72.44 -44.96 61.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 134' ' ' GLU . 15.8 mt -73.94 -12.16 60.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -129.41 96.68 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.8 m 153.9 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.79 105.87 2.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.122 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.51 17.99 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 0.796 . . . . 0.0 109.29 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.3 134.16 2.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.441 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -64.71 -46.09 83.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.751 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.878 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.48 -31.16 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 0.2 OUTLIER -79.14 -42.49 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 6.5 t -63.91 -30.12 71.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 152' ' ' LEU . 0.1 OUTLIER -62.39 -46.02 90.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.442 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 11.0 t -69.8 -45.76 67.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.84 -46.63 81.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.016 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.36 -40.4 90.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.838 HD12 HD12 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -57.2 -50.02 74.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.67 83.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -56.62 -32.28 61.26 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.83 HG12 HG21 ' A' ' 224' ' ' VAL . 7.1 mt -76.28 -46.52 32.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 0.764 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -54.27 -27.25 33.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -93.95 -46.29 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -86.66 18.45 34.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 155' ' ' ILE . 3.8 p -84.7 108.84 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -68.06 -8.9 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 163' ' ' GLU . 42.6 t -134.66 142.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.521 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 0.2 OUTLIER -61.97 -26.47 68.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.701 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.8 OUTLIER -65.9 -34.59 78.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -44.68 89.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.521 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 14.8 ptm180 -71.49 -35.91 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.496 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.5 OUTLIER -63.24 -40.38 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -67.91 -49.36 62.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.572 ' CB ' HD23 ' A' ' 152' ' ' LEU . . . -68.98 -42.93 75.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.49 -47.29 89.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 174' ' ' ARG . 4.5 ttt180 -55.81 -34.48 65.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.088 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.84 -42.19 50.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.545 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.49 -21.0 66.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.22 -1.78 18.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.459 ' NH1' ' NH1' ' A' ' 170' ' ' ARG . 11.1 ttt180 -73.13 148.61 43.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -102.18 98.11 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.3 mp -78.43 138.02 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.768 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 45.72 20.57 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.37 -3.05 65.85 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.754 HG22 ' HB2' ' A' ' 183' ' ' GLN . 9.6 mm -119.93 130.39 74.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.8 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.659 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -37.48 145.36 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.75 HD13 HD12 ' A' ' 171' ' ' LEU . 1.4 tp -61.38 -48.4 81.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -52.39 -15.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.754 ' HB2' HG22 ' A' ' 179' ' ' ILE . 44.1 mm-40 -86.59 -40.44 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.878 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.5 m95 -73.24 -3.73 28.66 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.76 15.37 41.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.8 t -150.92 157.29 42.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 3.4 t -105.1 134.01 48.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.428 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.42 7.07 49.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.81 -162.05 38.03 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.715 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.79 -33.41 40.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.736 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.31 -47.8 75.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 36.8 t -57.11 -40.5 77.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.18 -38.44 78.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.686 HD23 HD11 ' A' ' 202' ' ' LEU . 1.2 tp -59.21 -48.29 82.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.156 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -70.49 -24.77 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 196' ' ' LEU . 2.9 tt -53.68 -43.67 69.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.89 -74.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.683 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -90.7 138.52 31.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.696 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.41 -65.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.0 Cg_endo -75.01 -39.18 1.28 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.7 tt0 -72.5 -41.6 65.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.041 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.77 -44.24 61.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.653 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.93 -49.03 79.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 4.9 mmt180 -58.44 -47.58 83.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 29.6 mt-10 -73.23 -48.41 35.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 1.041 HG13 HD13 ' A' ' 202' ' ' LEU . 5.7 mm -61.81 -45.75 98.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.653 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 95.9 m -59.06 -46.04 89.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -29.79 64.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.684 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.2 OUTLIER -74.65 -44.68 49.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.732 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.5 mt -58.33 -45.29 88.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.424 ' HD2' ' HB1' ' A' ' 124' ' ' ALA . 14.3 t-160 -56.75 -39.96 74.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.624 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.99 -37.53 58.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.088 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -64.52 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 218' ' ' ALA . 8.1 tpt -63.18 -38.07 89.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 45.8 t -57.82 -47.34 82.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -72.02 -34.74 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 213' ' ' VAL . 96.1 t -71.75 -32.67 45.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.725 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -71.88 -24.05 61.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.13 -48.54 17.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.996 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -61.47 -48.59 80.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.725 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.2 OUTLIER -62.57 -50.75 70.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.446 ' HG2' ' CD ' ' A' ' 221' ' ' ARG . 5.1 mm-40 -55.68 -33.51 64.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.63 -41.13 65.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 220' ' ' LEU . 24.9 t -61.46 -40.21 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.857 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.1 tm-20 -59.58 -42.46 92.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.6 p -57.15 -38.62 73.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.956 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.6 ' OE2' HG23 ' A' ' 161' ' ' VAL . 39.0 mt-10 -70.68 -40.94 72.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 224' ' ' VAL . 82.8 t -62.32 -40.88 89.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -32.2 70.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -65.55 -35.62 81.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 231' ' ' VAL . 75.2 t -75.05 -7.35 9.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.7 tpp -62.69 -35.28 79.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.0 OUTLIER -60.78 -45.04 95.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -37.08 69.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -35.8 80.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.495 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.77 -46.81 93.77 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.113 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.038 HD22 HG11 ' A' ' 217' ' ' VAL . 7.6 mt -79.71 -22.78 42.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 0.748 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -56.49 -39.09 72.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -18.39 64.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.821 ' HA ' HD22 ' A' ' 123' ' ' LEU . . . -69.33 -25.41 64.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -55.13 -30.24 59.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 125' ' ' THR . 0.4 OUTLIER -68.38 -29.54 68.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.955 ' HB3' HD13 ' A' ' 210' ' ' LEU . 0.1 OUTLIER -62.32 -24.32 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.497 ' HB1' ' CG ' ' A' ' 211' ' ' HIS . . . -65.22 -18.55 65.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.9 t -122.62 30.92 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.959 HD23 HD12 ' A' ' 131' ' ' LEU . 17.8 tp -61.4 162.64 7.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.64 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -125.22 -179.48 0.88 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.422 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.94 -30.91 62.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.763 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -77.05 -32.14 50.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.054 HD23 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -53.87 -45.87 71.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.46 -48.5 9.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -67.63 -61.12 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.763 ' HB2' ' O ' ' A' ' 130' ' ' GLY . 2.2 mt-10 -60.67 -15.99 34.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.753 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.3 -51.4 69.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.565 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.6 t -71.23 -37.27 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -71.98 -44.95 62.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 134' ' ' GLU . 3.6 mp -75.69 -9.83 58.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -113.97 10.28 17.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.34 -157.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.956 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.28 112.36 4.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.3 OUTLIER 79.39 4.93 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.5 143.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.437 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.52 -46.26 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.882 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.3 mt -69.64 -32.37 71.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.455 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 28.9 ttt85 -81.39 -37.32 28.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 143' ' ' GLY . 82.5 p -67.54 -33.44 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.025 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -61.51 -46.26 90.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.582 ' HA ' HD11 ' A' ' 172' ' ' LEU . 13.8 t -66.41 -36.88 83.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -42.56 61.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.946 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.63 -37.97 88.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.76 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.4 mt -64.12 -50.52 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.462 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -58.75 -38.28 78.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.47 -30.75 78.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 1.027 ' CD1' HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -76.63 -35.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.295 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 16.6 ttp180 -62.55 -29.28 70.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.27 4.44 12.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.261 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -120.69 0.57 12.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 155' ' ' ILE . 69.7 m -99.81 134.36 42.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.046 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -81.22 7.22 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 3.2 t -126.82 130.89 71.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.5 OUTLIER -62.18 -27.01 68.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 6.6 mm-40 -58.37 -35.27 71.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.574 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -65.09 -44.87 87.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 8.2 ttt180 -61.29 -45.63 93.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 170' ' ' ARG . 12.8 mt -63.99 -41.73 93.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.702 ' HB3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.12 -49.61 55.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.61 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -65.94 -50.07 65.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.79 -50.3 66.84 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 166' ' ' ILE . 0.4 OUTLIER -57.85 -35.3 70.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.252 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.997 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.75 -40.2 49.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.582 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.28 -21.9 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 -3.89 15.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.456 ' HB3' HD13 ' A' ' 171' ' ' LEU . 2.1 ttm-85 -66.19 136.15 55.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 126.68 31.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.954 HG23 ' CD ' ' A' ' 209' ' ' GLN . 23.1 mm -121.09 137.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.691 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.8 23.05 0.89 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.56 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 94.29 -3.84 69.76 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 1.01 HD13 HD13 ' A' ' 194' ' ' LEU . 1.1 mp -127.54 143.83 39.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.737 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.766 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.41 141.54 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.997 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.8 OUTLIER -59.85 -47.59 85.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.95 -19.1 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.766 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 4.2 mm-40 -79.42 -39.76 31.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.882 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.2 m95 -67.48 -7.43 25.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.07 17.69 56.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.455 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 15.5 m -153.14 167.03 30.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 110.428 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.435 ' N ' HG22 ' A' ' 186' ' ' THR . 10.0 t -117.81 137.04 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.422 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.55 9.48 52.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -95.63 -162.34 33.78 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.491 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -72.44 -39.11 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.784 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.965 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.84 -49.24 71.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.515 ' O ' HG12 ' A' ' 195' ' ' VAL . 23.7 t -56.89 -46.86 81.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.04 -35.29 76.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 1.01 HD13 HD13 ' A' ' 179' ' ' ILE . 0.5 OUTLIER -62.3 -48.04 81.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.054 HG21 HD23 ' A' ' 131' ' ' LEU . 11.6 p -67.11 -25.3 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 196' ' ' LEU . 0.5 OUTLIER -53.06 -49.62 66.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.68 -69.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.855 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.33 125.47 39.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.654 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -105.7 -64.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.95 -39.2 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 111.052 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.404 ' O ' ' OE1' ' A' ' 205' ' ' GLU . 1.1 tt0 -69.71 -46.49 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.855 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.7 OUTLIER -70.59 -41.2 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.675 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.91 -49.38 76.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 200' ' ' PRO . 12.7 mtt85 -59.22 -47.68 84.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 201' ' ' GLU . 11.0 mt-10 -74.99 -44.17 49.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.769 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -65.57 -42.69 93.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.675 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.5 m -64.11 -46.95 81.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.03 -37.91 75.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.954 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.05 -39.03 66.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.955 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.0 mt -57.54 -44.99 85.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.497 ' CG ' ' HB1' ' A' ' 124' ' ' ALA . 3.7 t-160 -60.88 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.601 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -72.91 -34.14 66.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.024 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.0 t -62.09 -45.7 98.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.7 tpt -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 27.4 t -57.25 -45.68 83.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.442 ' O ' HD23 ' A' ' 220' ' ' LEU . 3.5 tp10 -70.74 -34.42 71.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 1.038 HG11 HD22 ' A' ' 117' ' ' LEU . 19.5 t -66.3 -36.79 78.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.67 67.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 7.9 mt -73.92 -47.9 34.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.915 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.75 -43.19 66.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.784 ' HD2' HG12 ' A' ' 217' ' ' VAL . 17.7 mtp-105 -57.84 -51.08 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.24 -32.29 68.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.87 -42.03 77.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.027 HG21 ' CD1' ' A' ' 155' ' ' ILE . 2.4 t -63.59 -47.64 90.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 228' ' ' VAL . 0.2 OUTLIER -56.96 -33.54 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 35.7 t -67.1 -37.47 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.08 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 230' ' ' ARG . 4.2 mt-10 -73.71 -47.04 42.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.683 HG22 ' HA ' ' A' ' 225' ' ' GLU . 3.6 m -69.86 -25.85 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 6.2 t -68.52 -40.82 80.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 231' ' ' VAL . 3.0 ptt85 -78.7 -28.76 45.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.493 ' N ' ' HG3' ' A' ' 230' ' ' ARG . 0.3 OUTLIER -78.23 -11.05 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 56.5 tpp -58.28 -40.0 80.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.577 HG21 ' HA3' ' A' ' 154' ' ' GLY . 3.6 p -64.99 -35.42 81.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.37 -39.43 72.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -39.17 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.91 -36.19 92.45 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.901 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.53 -26.48 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -56.82 -47.03 81.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.577 ' CG ' ' HB2' ' A' ' 144' ' ' ALA . 0.3 OUTLIER -60.72 -35.15 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -55.05 -25.31 29.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.8 t -55.25 -31.29 61.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 125' ' ' THR . 4.9 tt0 -63.04 -27.49 69.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.804 ' CD1' HD22 ' A' ' 148' ' ' LEU . 13.3 mt -57.93 -25.88 61.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.706 ' HB1' ' HD2' ' A' ' 211' ' ' HIS . . . -78.82 -17.77 55.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 122' ' ' GLU . 7.3 t -122.96 30.19 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 210' ' ' LEU . 0.2 OUTLIER -58.8 -155.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.94 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.4 OUTLIER 174.82 169.02 0.33 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.4 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.833 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.08 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.467 ' H ' HG23 ' A' ' 127' ' ' THR . 1.8 tp10 -60.24 -45.39 93.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.94 ' H ' HG22 ' A' ' 127' ' ' THR . . . -76.82 -25.98 63.59 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.704 HD13 HD21 ' A' ' 202' ' ' LEU . 0.8 OUTLIER -57.13 -30.43 64.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.72 12.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.33 -55.5 3.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.867 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -50.38 -40.02 48.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.4 t-80 -56.91 -49.13 76.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.588 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.1 t -59.78 -47.77 84.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.13 59.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.6 OUTLIER -67.93 -13.08 61.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.87 -2.42 16.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 41.1 t -93.06 -158.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -63.23 117.16 10.49 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 82.26 -4.57 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 0.0 109.334 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -37.92 130.01 1.5 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.46 -43.08 83.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 148' ' ' LEU . 0.6 OUTLIER -69.94 -34.42 73.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.0 OUTLIER -72.73 -42.68 63.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.441 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 89.9 p -65.81 -26.89 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.988 HD23 HD23 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -63.2 -47.27 83.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.557 ' HA ' HD11 ' A' ' 172' ' ' LEU . 3.3 t -66.52 -42.9 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.6 m -69.92 -45.38 67.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.901 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.45 -45.73 90.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 152' ' ' LEU . 11.2 mt -64.73 -49.71 69.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.513 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.43 -35.03 69.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.577 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -66.53 -32.83 82.81 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.759 HG21 ' CD1' ' A' ' 220' ' ' LEU . 1.0 OUTLIER -73.02 -43.5 58.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.345 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HG3' ' CA ' ' A' ' 165' ' ' ARG . 0.1 OUTLIER -56.84 -28.56 61.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.86 10.72 12.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -116.53 -31.79 1.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.958 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -87.78 139.49 30.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 110.039 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -88.29 21.83 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.1 t -119.73 127.35 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.664 ' O ' ' HG3' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -63.52 -25.79 68.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.577 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -67.36 -32.81 74.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.701 ' HA ' HD21 ' A' ' 220' ' ' LEU . 22.4 p -69.86 -46.21 66.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.948 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -68.9 -35.88 77.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 162' ' ' GLU . 0.0 OUTLIER -66.3 -44.73 90.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.52 ' CD ' HD23 ' A' ' 220' ' ' LEU . 1.6 tt0 -70.88 -49.51 45.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.27 78.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.44 -49.97 68.74 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.9 OUTLIER -58.2 -34.67 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 0.797 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.865 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.16 -42.13 47.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.557 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -66.26 -21.92 66.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.33 -6.17 23.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 181' ' ' LEU . 0.0 OUTLIER -61.59 153.57 27.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.24 94.96 5.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.828 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.9 mm -79.95 139.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.623 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.17 20.88 0.57 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.51 -3.55 68.73 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -121.13 137.28 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 0.739 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.784 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.02 143.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.865 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -61.09 -48.57 81.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.77 -16.02 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.784 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 11.3 mm-40 -81.7 -39.46 24.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.918 ' CH2' HD12 ' A' ' 206' ' ' ILE . 93.9 m95 -71.17 -7.05 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 108.027 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -106.49 18.94 37.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.1 t -155.14 160.65 41.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.3 m -109.55 144.72 37.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.83 5.25 64.62 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.12 -156.76 32.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.554 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.11 -37.02 26.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.987 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.35 -43.1 74.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.571 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.4 t -57.06 -43.67 82.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.24 -37.76 75.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.813 HD22 HD13 ' A' ' 179' ' ' ILE . 2.8 tp -60.39 -47.41 86.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.914 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.9 p -64.23 -32.33 57.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -25.49 66.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.41 -73.12 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.707 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.0 148.74 39.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.723 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -135.81 -67.14 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.723 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.97 -37.96 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.536 1.808 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.8 -38.18 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.914 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -67.26 -48.01 69.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.728 ' O ' ' CB ' ' A' ' 207' ' ' THR . 1.6 ppt_? -60.13 -31.45 70.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 2.6 mtm180 -81.89 -48.39 11.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -75.38 -52.9 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.918 HD12 ' CH2' ' A' ' 184' ' ' TRP . 3.8 mm -55.18 -43.01 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.728 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 61.9 m -65.37 -48.09 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.33 -39.28 75.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.59 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -75.16 -40.54 59.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 126' ' ' LEU . 5.3 mt -61.32 -44.97 96.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.706 ' HD2' ' HB1' ' A' ' 124' ' ' ALA . 53.9 t-80 -58.61 -37.92 76.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -74.84 -32.76 62.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 0.5 OUTLIER -63.06 -42.88 98.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 214' ' ' MET . 19.9 tpp -66.25 -33.66 76.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 29.7 t -57.08 -47.48 80.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.25 -33.87 70.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 86.0 t -64.06 -38.92 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.51 83.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.52 -35.58 76.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.875 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.83 -44.44 61.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 40.1 mtm180 -58.26 -51.69 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -58.26 -32.28 68.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.05 -42.1 66.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.958 HG13 ' OG ' ' A' ' 159' ' ' SER . 11.9 t -75.87 -44.53 38.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.3 tt0 -56.38 -38.62 71.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 9.2 t -65.9 -35.9 81.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.1 -48.27 80.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.04 -42.01 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.0 t -60.68 -41.72 95.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -72.33 -19.36 61.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 231' ' ' VAL . 46.6 t -98.67 10.59 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.955 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 15.0 tpt -58.48 -42.91 88.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.64 HG21 HG13 ' A' ' 155' ' ' ILE . 1.0 OUTLIER -59.56 -44.33 93.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 225' ' ' GLU . 3.2 mt -56.94 -37.98 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -66.37 -34.11 77.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -62.17 -34.43 89.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.979 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -78.75 -31.19 46.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -62.81 -36.51 83.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -54.66 -24.33 21.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 15.2 m -54.4 -29.78 50.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -59.03 -37.98 78.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.862 HD12 ' CD1' ' A' ' 210' ' ' LEU . 1.3 mm? -58.69 -30.82 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -62.76 -18.21 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.9 t -126.19 35.34 4.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 1.061 HD23 HD12 ' A' ' 131' ' ' LEU . 13.9 tp -63.41 171.88 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.55 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -138.57 -179.91 1.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.389 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.55 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.32 -30.93 60.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.356 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.873 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.23 -45.11 11.86 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.061 HD12 HD23 ' A' ' 126' ' ' LEU . 4.0 tt -56.33 -25.37 48.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 0.761 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.66 -49.15 8.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.82 -50.22 5.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.873 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -53.54 -37.95 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.546 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 1.9 t60 -58.66 -45.12 90.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 43.0 t -58.18 -49.97 75.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 134' ' ' GLU . 14.8 ptm180 -75.99 -39.97 54.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 1.055 HD13 ' HB3' ' A' ' 144' ' ' ALA . 0.8 OUTLIER -68.24 -16.15 63.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -105.21 2.49 29.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.402 ' O ' ' CD ' ' A' ' 146' ' ' ARG . 3.3 t -93.83 -160.8 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.549 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -66.18 116.21 8.24 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 86.52 -15.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.6 137.54 0.48 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 1.055 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -57.79 -41.81 82.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.881 HD13 ' O ' ' A' ' 184' ' ' TRP . 2.6 mt -69.5 -31.47 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.402 ' CD ' ' O ' ' A' ' 140' ' ' SER . 39.2 ttt85 -80.65 -31.5 36.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 91.0 p -70.13 -35.04 73.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.752 HD11 HD21 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -61.43 -43.43 98.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.514 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.7 t -71.08 -45.71 63.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -46.05 77.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.68 -46.22 84.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.505 ' HB3' HD22 ' A' ' 172' ' ' LEU . 13.1 mt -57.29 -49.72 75.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.15 73.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -65.31 -32.0 82.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.804 HG21 ' CD1' ' A' ' 220' ' ' LEU . 0.6 OUTLIER -79.81 -35.75 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.547 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 12.6 mtm180 -54.4 -30.59 52.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.57 -2.82 9.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -106.18 -3.13 38.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.57 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 54.6 p -98.4 129.22 45.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.84 2.33 14.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 163' ' ' GLU . 6.8 t -121.89 136.75 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -66.25 -29.94 70.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.509 ' HB2' ' CG1' ' A' ' 161' ' ' VAL . 13.5 mt-10 -59.49 -34.11 72.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.686 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -64.24 -44.68 91.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -70.14 -39.35 75.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 22.3 mt -64.32 -42.71 96.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.613 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.26 -48.79 60.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 220' ' ' LEU . . . -65.37 -44.72 86.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.62 -50.57 65.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.76 -37.11 70.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.056 ' CD1' HD13 ' A' ' 181' ' ' LEU . 2.1 tp -77.0 -39.49 50.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -61.8 -20.84 64.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -114.84 -5.98 12.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -63.07 142.32 58.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.333 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.5 127.48 32.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.901 HG23 ' CD ' ' A' ' 209' ' ' GLN . 19.2 mm -121.83 137.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.719 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.66 22.94 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.43 -4.34 69.78 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.929 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.9 OUTLIER -126.98 143.06 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.826 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -42.6 141.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.056 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -60.38 -48.0 83.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -15.41 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.826 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 19.5 mm-40 -83.12 -39.11 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.881 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.1 m95 -69.29 -7.84 40.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 108.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -109.76 18.02 29.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.3 m -140.59 161.11 38.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 12.2 t -108.46 129.08 55.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 96.91 8.53 56.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.67 -175.32 50.69 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.548 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -69.82 -34.43 73.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.929 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.21 -48.61 73.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.523 ' O ' HG12 ' A' ' 195' ' ' VAL . 5.0 t -57.05 -43.33 81.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -69.5 -37.56 77.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.695 HD13 HD13 ' A' ' 179' ' ' ILE . 2.7 tp -60.11 -48.21 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.909 HG21 HD23 ' A' ' 131' ' ' LEU . 7.2 p -64.91 -27.77 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.72 -49.21 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -66.27 -68.81 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.852 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -95.12 125.87 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.652 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -106.9 -64.1 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.652 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -46.52 62.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.9 OUTLIER -69.94 -41.74 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.733 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.24 -50.84 72.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.422 ' HD3' ' NH2' ' A' ' 203' ' ' ARG . 17.3 mmt180 -58.12 -47.05 84.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -75.0 -52.23 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.719 HD12 ' CA ' ' A' ' 177' ' ' GLY . 1.4 mm -58.11 -42.66 83.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.733 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 72.1 m -60.91 -47.19 87.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -36.9 74.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.901 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.87 -39.8 63.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.862 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.6 mt -57.75 -44.96 86.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.56 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.97 -33.3 74.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.996 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.1 t -67.52 -34.52 68.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.2 tpt -67.0 -39.15 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 48.1 t -60.02 -43.99 94.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.986 ' OE1' HD22 ' A' ' 171' ' ' LEU . 10.7 pt-20 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 213' ' ' VAL . 85.8 t -69.91 -35.46 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.562 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -59.9 -36.23 76.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 223' ' ' ALA . 0.0 OUTLIER -75.1 -32.1 61.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.944 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -72.41 -47.91 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -66.84 -51.53 54.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -56.65 -32.14 65.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 219' ' ' LEU . . . -71.78 -39.26 70.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 220' ' ' LEU . 21.6 t -76.54 -38.78 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 226' ' ' SER . 0.0 OUTLIER -59.97 -39.85 87.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . 0.497 ' N ' ' HG3' ' A' ' 225' ' ' GLU . 86.4 p -64.46 -35.19 80.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.66 -48.37 79.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.52 ' HA ' HG12 ' A' ' 231' ' ' VAL . 54.0 t -60.64 -39.28 80.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 29.6 t -69.11 -36.75 77.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.6 -19.94 54.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.576 HG13 ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -108.3 -176.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . 0.576 ' N ' HG13 ' A' ' 231' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 16.8 mtp -65.58 -33.81 76.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -59.05 -46.15 88.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' O ' ' OD2' ' A' ' 118' ' ' ASP . 0.2 OUTLIER -56.77 -37.74 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 118' ' ' ASP . 0.0 OUTLIER -64.72 -34.04 77.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -65.19 -53.1 35.2 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.979 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 8.0 mt -74.66 -22.76 58.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.425 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . 2.5 m-20 -56.28 -43.72 79.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -17.72 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.738 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -60.14 -23.49 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 3.4 m -51.93 -29.05 18.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -64.23 -41.46 96.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' A' ' 210' ' ' LEU . 4.1 mm? -59.11 -32.59 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HB2' ' SD ' ' A' ' 214' ' ' MET . . . -60.68 -18.28 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 122' ' ' GLU . 8.9 t -126.28 27.15 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.584 HD21 ' HG ' ' A' ' 131' ' ' LEU . 12.7 tp -46.61 172.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -145.76 177.77 1.66 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.841 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.03 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 127' ' ' THR . 0.5 OUTLIER -71.8 -21.86 61.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.882 ' H ' HG22 ' A' ' 127' ' ' THR . . . -80.59 -52.05 4.61 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.857 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -51.63 -23.61 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -87.34 -43.32 12.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -104.17 -51.44 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.862 ' N ' ' O ' ' A' ' 130' ' ' GLY . 34.3 mt-10 -55.15 -38.18 67.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.572 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 20.2 t60 -57.2 -50.19 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.595 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -45.39 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -72.54 -45.73 57.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.744 ' N ' ' O ' ' A' ' 134' ' ' GLU . 3.2 mp -68.47 -12.79 61.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -107.58 5.43 26.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -163.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -62.83 115.75 8.45 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.0 t0 82.77 -6.52 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.06 131.57 0.81 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 148' ' ' LEU . . . -61.97 -36.57 81.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' A' ' 123' ' ' LEU . 1.1 tt -70.19 -35.19 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 20.7 ttt85 -81.76 -38.02 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 143' ' ' GLY . 7.8 t -67.76 -27.33 66.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.661 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.4 -47.41 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.432 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 33.4 t -71.33 -36.81 71.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.52 -45.46 75.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.979 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -62.71 -34.06 76.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -62.78 -50.5 70.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.8 -41.99 83.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.487 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.95 -31.94 61.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.821 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -77.09 -39.07 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 14.7 mtm180 -55.8 -27.83 53.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -122.39 4.31 9.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.76 -5.26 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 27.6 p -93.93 132.35 38.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -82.96 8.23 13.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 163' ' ' GLU . 72.7 t -127.26 137.66 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -30.26 70.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.646 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.2 tt0 -59.52 -40.87 88.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.494 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 3.1 m -59.45 -44.57 92.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -65.58 -41.96 92.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.02 -41.81 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 0.3 OUTLIER -68.2 -48.75 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.488 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -67.73 -44.95 76.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.39 74.3 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -55.59 -34.66 65.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 0.726 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.77 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.2 OUTLIER -77.13 -41.68 40.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.583 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -64.53 -22.56 67.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -101.51 -7.95 22.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.548 HH21 HG23 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -61.52 148.6 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.43 97.15 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.953 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 2.2 mm -82.98 132.01 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.634 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.83 21.01 0.77 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.41 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.04 -3.91 70.66 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.907 HG22 ' HB2' ' A' ' 183' ' ' GLN . 10.6 mm -115.59 118.53 59.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -32.44 144.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.77 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.4 tp -58.25 -44.57 88.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -52.45 -19.14 2.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.907 ' HB2' HG22 ' A' ' 179' ' ' ILE . 32.2 mm-40 -83.56 -38.8 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.255 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.953 ' CD1' ' HB ' ' A' ' 176' ' ' ILE . 96.2 m95 -75.71 33.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -143.68 13.73 2.21 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 9.0 t -151.85 146.7 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.8 t -94.2 134.65 36.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 100.29 8.67 49.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -89.52 -162.27 38.26 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.725 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -79.88 -35.17 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.616 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.33 -46.84 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.403 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.2 t -56.27 -41.06 75.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -69.61 -38.28 77.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.799 HD23 HD11 ' A' ' 202' ' ' LEU . 4.4 tp -60.06 -48.35 82.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.71 HG23 HD13 ' A' ' 131' ' ' LEU . 7.2 p -66.68 -25.8 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.87 -49.16 71.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -63.71 -68.88 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.653 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -95.65 132.34 40.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.646 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -110.2 -63.87 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.646 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -38.25 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 2.4 tp10 -75.27 -37.31 60.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.3 -47.64 33.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.857 ' HA ' HD12 ' A' ' 131' ' ' LEU . 4.6 ppt_? -61.86 -41.26 97.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 3.1 mtm180 -65.36 -48.8 71.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 33.8 mt-10 -72.77 -42.65 63.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.971 HG13 HD13 ' A' ' 202' ' ' LEU . 1.6 mm -67.52 -39.98 83.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 20.4 m -61.32 -48.17 82.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.388 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -60.66 -37.88 83.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.57 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.2 -38.22 66.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' A' ' 123' ' ' LEU . 4.6 mt -61.87 -43.92 97.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -57.24 -40.11 76.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -71.55 -33.5 69.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.819 ' O ' HG23 ' A' ' 217' ' ' VAL . 1.2 t -67.46 -34.48 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.711 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 0.6 OUTLIER -69.56 -34.78 74.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 44.8 t -56.4 -46.74 80.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.78 -34.23 71.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.826 HG11 HD22 ' A' ' 117' ' ' LEU . 88.6 t -66.85 -32.42 57.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.624 ' HB1' ' NE2' ' A' ' 222' ' ' GLN . . . -69.25 -24.5 63.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -46.54 36.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.027 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.9 pp -69.96 -45.82 66.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.783 ' CD ' HG12 ' A' ' 217' ' ' VAL . 20.5 mtp-105 -59.35 -50.39 74.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.624 ' NE2' ' HB1' ' A' ' 218' ' ' ALA . 27.2 mt-30 -57.61 -32.88 67.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -71.66 -41.42 68.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -68.55 -46.69 79.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -37.27 76.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 24.0 p -59.13 -41.9 89.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 231' ' ' VAL . 20.2 mt-10 -71.34 -46.74 59.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 57.7 t -59.82 -38.38 75.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 41.6 m -72.99 -15.19 61.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -87.03 -37.84 17.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 227' ' ' GLU . 4.4 m -79.96 -18.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -66.93 -35.82 80.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 151' ' ' ALA . 12.9 m -63.36 -31.96 73.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.377 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.77 -41.2 88.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -63.79 -35.49 80.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -61.25 -36.21 92.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.899 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.25 -25.4 46.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.03 -46.92 82.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.61 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.1 tttm -60.73 -28.85 69.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -55.58 -24.7 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 18.2 m -54.85 -32.87 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.51 -31.83 72.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.022 HD22 HD12 ' A' ' 145' ' ' LEU . 62.5 mt -58.91 -43.19 91.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.684 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -59.98 -18.46 45.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 126' ' ' LEU . 68.6 p -116.65 15.29 15.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.711 HD21 ' HG ' ' A' ' 131' ' ' LEU . 7.4 tp -41.89 163.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.661 ' H ' HD12 ' A' ' 126' ' ' LEU . 2.2 p -134.82 170.38 11.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.377 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.578 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.02 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.64 -27.62 62.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.877 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.5 -39.98 20.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.799 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -55.92 -24.51 38.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.59 -50.71 7.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -95.54 -49.21 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.877 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.4 tt0 -55.19 -39.25 69.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 8.7 t-80 -56.52 -48.89 76.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 140' ' ' SER . 5.2 t -58.27 -46.05 86.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -44.76 55.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.738 HD13 ' HG2' ' A' ' 134' ' ' GLU . 5.4 mp -70.47 -5.18 26.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.2 4.04 20.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 136' ' ' SER . 2.3 m -95.17 -148.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.12 118.71 6.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 5.5 t0 82.05 -7.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -36.4 141.11 0.22 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.722 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.75 -40.37 84.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.022 HD12 HD22 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -69.66 -35.18 74.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.494 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 13.5 ttt85 -81.77 -37.49 27.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.7 p -69.68 -27.14 64.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.861 HD22 ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -62.15 -48.08 81.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 47.6 t -72.64 -36.56 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.89 -46.05 63.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.899 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.18 -37.43 82.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.917 HD21 HD12 ' A' ' 220' ' ' LEU . 1.1 mt -70.18 -49.49 49.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.96 73.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.478 ' HA3' HG21 ' A' ' 113' ' ' THR . . . -57.3 -36.69 77.16 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.891 HG13 HG11 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -78.42 -37.69 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 5.1 ttp180 -53.32 -27.01 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -126.05 3.45 7.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -109.68 -25.96 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.519 ' HB3' HG23 ' A' ' 155' ' ' ILE . 57.5 p -71.3 126.9 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 110.054 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -75.85 -0.26 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.73 HG23 ' OE1' ' A' ' 227' ' ' GLU . 79.0 t -116.69 133.86 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.1 pt-20 -65.41 -29.99 70.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.567 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -59.97 -40.83 90.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.5 OUTLIER -66.46 -42.85 86.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.016 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.472 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 28.2 ttt180 -60.9 -43.12 98.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 27.2 mt -63.8 -41.45 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.928 ' HB3' HD22 ' A' ' 220' ' ' LEU . 2.2 mt-30 -69.17 -48.14 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.735 ' O ' HD22 ' A' ' 172' ' ' LEU . . . -66.18 -49.45 67.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.2 -47.84 78.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -34.13 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.066 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -75.75 -42.55 50.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 168' ' ' ALA . 0.3 OUTLIER -61.79 -30.59 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.325 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -94.54 -7.79 40.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' HD2' HD11 ' A' ' 176' ' ' ILE . 62.4 ttm-85 -61.11 154.76 22.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.31 97.72 7.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.011 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.923 HG12 HD12 ' A' ' 181' ' ' LEU . 0.7 OUTLIER -86.4 139.28 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.657 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 47.74 22.21 1.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 92.06 -4.71 78.25 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.971 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.5 OUTLIER -121.18 137.04 56.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.605 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.16 143.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.066 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.5 OUTLIER -60.07 -47.64 85.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -52.96 -17.23 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.843 ' HB2' HG23 ' A' ' 179' ' ' ILE . 9.3 mm100 -81.75 -36.46 28.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.779 ' NE1' HG22 ' A' ' 179' ' ' ILE . 95.0 m95 -74.98 32.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.618 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -140.73 12.75 2.92 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 13.0 t -143.51 147.32 34.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.0 t -96.61 130.41 43.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.12 6.3 51.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -84.18 -160.22 30.74 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.735 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -80.59 -36.13 33.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.971 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.81 -48.9 74.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.28 76.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -69.5 -39.66 77.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' ' 177' ' ' GLY . 1.1 tp -59.27 -48.62 80.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.799 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.7 p -68.24 -25.93 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.97 -44.43 78.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -68.83 -72.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.757 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -91.67 136.63 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.666 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.09 -64.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.666 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.6 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.783 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.0 tt0 -72.86 -43.68 62.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.757 HD23 ' CB ' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -71.93 -44.86 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.646 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.6 OUTLIER -57.27 -48.58 78.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.4 mmp_? -57.93 -49.07 78.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 19.2 mt-10 -75.02 -47.07 30.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.889 HG23 HE22 ' A' ' 209' ' ' GLN . 14.5 mm -60.48 -47.0 94.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.646 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 90.8 m -61.67 -46.15 90.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 3.8 t70 -56.88 -37.06 70.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.889 HE22 HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -72.48 -40.28 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.892 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -62.57 -45.24 93.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.684 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 2.0 t-160 -57.81 -35.64 71.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.55 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -74.83 -39.86 61.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.962 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.1 t -62.53 -34.48 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.1 tpt -68.7 -37.35 79.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -56.26 -48.14 77.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.423 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -71.67 -33.57 68.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 213' ' ' VAL . 43.8 t -58.18 -45.68 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.2 -35.37 71.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.93 -37.62 87.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -72.19 -46.05 57.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.647 ' NH1' HG13 ' A' ' 217' ' ' VAL . 11.7 mmp_? -58.13 -52.37 65.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.34 -33.71 65.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -74.12 -42.27 60.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 220' ' ' LEU . 6.0 t -73.75 -44.91 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 229' ' ' SER . 1.9 tt0 -56.22 -33.95 65.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 2.2 m -65.13 -42.3 93.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.73 ' OE1' HG23 ' A' ' 161' ' ' VAL . 32.1 mt-10 -62.79 -48.44 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 225' ' ' GLU . 15.7 m -73.53 -28.76 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 225' ' ' GLU . 23.8 m -72.6 -35.09 67.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.956 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -36.64 80.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 227' ' ' GLU . 54.9 t -43.16 -38.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.002 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 8.6 tpt -58.9 -40.48 84.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -63.26 -42.11 99.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.19 -38.85 71.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.243 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -66.74 -35.81 80.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.94 -35.58 90.76 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.956 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.78 -28.26 44.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -56.91 -47.49 80.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CD ' ' HB2' ' A' ' 144' ' ' ALA . 14.9 tttt -62.12 -32.6 73.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -57.97 -25.33 60.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.9 m -55.01 -31.53 61.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mt-10 -73.68 -33.47 64.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.993 HD12 ' CD1' ' A' ' 210' ' ' LEU . 4.4 mm? -59.04 -24.79 63.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -19.16 65.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.3 t -125.17 27.75 6.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.733 HD12 ' H ' ' A' ' 127' ' ' THR . 12.1 tp -50.58 162.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.733 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -126.48 167.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.383 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.509 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.1 Cg_endo -75.03 -44.66 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 7.3 pt-20 -74.24 -36.83 63.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -77.4 -31.4 51.3 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 203' ' ' ARG . 2.8 tp -55.12 -46.65 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.63 -23.12 49.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 3.6 mtt180 -103.14 7.84 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.83 ' O ' ' N ' ' A' ' 138' ' ' LEU . 0.0 OUTLIER -130.02 -34.61 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.647 ' HB2' HD12 ' A' ' 131' ' ' LEU . 1.0 OUTLIER -54.63 -37.15 65.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.38 -48.28 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 139' ' ' ALA . 60.3 mtt180 -74.96 -47.29 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.83 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.4 tp -67.59 3.67 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 135' ' ' HIS . . . -114.82 2.6 14.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.79 -153.88 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.92 116.13 7.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.516 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.8 t0 83.91 -6.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.603 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -34.55 131.48 0.51 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.802 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.7 -39.87 95.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.862 HD12 HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.03 -39.26 75.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 19.7 ttt85 -78.66 -39.27 37.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.603 ' N ' ' O ' ' A' ' 143' ' ' GLY . 79.2 p -61.94 -33.84 75.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.65 -48.05 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.423 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 39.2 t -73.24 -43.18 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.168 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.14 -47.22 77.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.956 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.41 -38.73 74.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 181' ' ' LEU . 11.0 mt -60.89 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.472 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -59.33 -35.57 74.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -63.11 -32.11 83.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.816 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.36 -34.86 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.273 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HD3' HD23 ' A' ' 172' ' ' LEU . 7.2 mtm180 -56.98 -29.15 63.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.07 -2.63 9.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -107.41 -7.02 32.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.48 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 51.9 p -91.82 130.21 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.765 . . . . 0.0 110.047 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -79.05 3.98 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -124.5 136.52 60.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.83 -31.28 72.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.563 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tt0 -59.32 -35.63 74.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.57 ' OG ' HG22 ' A' ' 224' ' ' VAL . 3.2 m -62.92 -44.55 95.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 169' ' ' GLY . 26.4 ttm105 -64.99 -36.5 84.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -41.43 87.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.364 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 26.2 mt-30 -68.21 -49.81 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.518 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.57 -43.07 73.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.87 -47.39 89.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.68 -34.29 64.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.052 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.03 -43.61 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.769 ' CD1' HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -63.03 -22.99 67.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.28 -0.18 28.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.755 ' NH1' HD22 ' A' ' 171' ' ' LEU . 0.0 OUTLIER -79.72 147.36 31.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.542 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -99.17 97.59 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.994 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.771 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.8 mp -82.03 141.74 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.593 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.37 20.88 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.64 -2.66 67.44 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.945 HG12 HD22 ' A' ' 194' ' ' LEU . 18.3 mm -122.63 133.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.542 ' HA ' ' HA ' ' A' ' 175' ' ' SER . . . -43.01 146.81 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.097 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.052 HD22 HD12 ' A' ' 171' ' ' LEU . 9.8 tp -58.13 -40.79 82.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -19.95 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.804 ' HB2' HG22 ' A' ' 179' ' ' ILE . 35.6 mm-40 -86.81 -41.06 14.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ3' HG21 ' A' ' 206' ' ' ILE . 85.0 m95 -76.83 31.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.026 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -154.34 17.18 0.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.2 m -152.19 148.16 27.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.403 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -94.59 126.12 39.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 102.15 20.07 13.28 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.408 1.068 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -97.43 -174.47 34.11 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.416 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -71.39 -31.08 66.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.74 ' O ' HG12 ' A' ' 195' ' ' VAL . . . -55.39 -47.04 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.74 -37.41 76.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . 0.51 ' HA ' HD12 ' A' ' 196' ' ' LEU . 3.8 tt0 -71.41 -37.4 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.945 HD22 HG12 ' A' ' 179' ' ' ILE . 1.5 tp -65.91 -48.91 69.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 191' ' ' ALA . 5.0 p -69.64 -24.98 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 193' ' ' GLN . 3.3 mt -53.64 -49.58 67.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.22 -68.73 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 202' ' ' LEU . . . -93.75 130.64 39.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.71 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -103.11 -66.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.71 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.02 -38.82 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 3.9 tp10 -67.37 -46.45 73.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 198' ' ' ALA . 0.3 OUTLIER -73.61 -41.59 62.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.9 ' HB2' HD23 ' A' ' 131' ' ' LEU . 0.9 OUTLIER -62.66 -48.31 79.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 200' ' ' PRO . 1.9 mmt85 -57.35 -47.46 81.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 21.5 mt-10 -73.5 -40.55 63.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.869 HG21 ' CZ3' ' A' ' 184' ' ' TRP . 0.2 OUTLIER -70.48 -41.76 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.649 ' N ' ' O ' ' A' ' 203' ' ' ARG . 52.1 m -61.36 -46.89 88.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -33.24 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.587 ' NE2' HG13 ' A' ' 176' ' ' ILE . 0.6 OUTLIER -73.57 -40.55 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.993 ' CD1' HD12 ' A' ' 123' ' ' LEU . 3.4 mt -58.74 -45.27 90.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -57.81 -40.23 79.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.626 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.35 -33.31 61.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.015 ' CG2' HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -65.07 -38.3 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.1 tpt -63.59 -39.1 93.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.6 t -56.52 -45.97 80.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -70.7 -34.14 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.556 ' HA ' HD21 ' A' ' 220' ' ' LEU . 25.2 t -66.05 -31.7 54.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.18 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.06 -46.56 64.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.034 ' O ' HG23 ' A' ' 224' ' ' VAL . 2.1 pp -71.66 -41.59 68.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.487 ' CD ' ' HB2' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -57.55 -55.07 39.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.345 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.06 -32.53 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.69 78.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.034 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -73.32 -45.15 53.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.5 ' HA ' HG22 ' A' ' 228' ' ' VAL . 14.3 tm-20 -57.98 -32.87 68.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 230' ' ' ARG . 40.0 m -67.85 -42.38 81.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 231' ' ' VAL . 9.2 mt-10 -62.64 -47.87 81.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 225' ' ' GLU . 31.9 m -70.25 -36.16 66.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 35.5 t -71.69 -33.26 68.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 226' ' ' SER . 6.0 mtp180 -65.25 -32.64 74.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 227' ' ' GLU . 72.1 t -53.85 -21.02 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -39.81 90.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.2 m -60.56 -37.56 81.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.399 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -40.35 73.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -67.73 -41.76 82.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -62.23 -38.28 95.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.888 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.45 -27.17 46.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -58.51 -41.33 85.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.639 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 0.0 OUTLIER -60.31 -33.03 71.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.74 -25.52 28.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.9 t -55.33 -34.0 63.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.543 ' O ' HG22 ' A' ' 125' ' ' THR . 7.9 mt-10 -64.07 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 138' ' ' LEU . 2.6 mp -59.37 -33.74 71.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -61.62 -18.67 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 122' ' ' GLU . 2.3 t -116.74 20.31 14.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.913 HD11 ' HA ' ' A' ' 131' ' ' LEU . 54.3 tp -51.02 160.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.617 ' H ' HD12 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -132.88 176.9 2.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.398 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.5 ' HB3' ' CD ' ' A' ' 203' ' ' ARG . 18.3 Cg_endo -74.99 -45.9 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.779 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.45 -35.75 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.933 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.86 -33.7 45.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.913 ' HA ' HD11 ' A' ' 126' ' ' LEU . 0.3 OUTLIER -53.97 -38.79 65.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.23 -32.57 26.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -96.11 -61.05 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.933 ' N ' ' O ' ' A' ' 130' ' ' GLY . 92.6 mt-10 -47.75 -36.14 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.608 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 1.7 t60 -56.14 -49.42 73.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.65 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 t -59.33 -45.88 90.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -44.51 56.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 123' ' ' LEU . 8.5 mp -72.29 -3.37 23.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 135' ' ' HIS . . . -128.2 95.67 4.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 139' ' ' ALA . 1.9 m 154.87 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.42 ' C ' ' N ' ' A' ' 143' ' ' GLY . . . -83.57 106.23 2.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.438 ' O ' ' NZ ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.65 18.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 138' ' ' LEU . . . -42.7 129.47 5.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.639 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -57.58 -35.57 70.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.847 ' HA ' HD21 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -68.95 -38.14 79.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.468 ' HA ' ' CA ' ' A' ' 185' ' ' GLY . 1.2 ttt85 -78.4 -35.01 47.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 143' ' ' GLY . 67.6 p -70.28 -30.24 67.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -61.81 -46.81 87.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 21.2 t -71.33 -41.97 69.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.8 m -66.57 -46.19 76.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.888 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -60.98 -34.49 74.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.6 HD22 ' HA ' ' A' ' 168' ' ' ALA . 6.0 mt -64.62 -50.74 65.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.471 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -61.16 -35.22 76.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.556 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.15 -32.19 75.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.828 HG12 HG21 ' A' ' 224' ' ' VAL . 3.5 mt -80.11 -43.5 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 0.735 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.416 ' HG3' ' HB2' ' A' ' 165' ' ' ARG . 1.9 ttp85 -50.29 -27.07 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.52 -31.37 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -66.51 -39.39 93.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.849 ' OG ' HG13 ' A' ' 224' ' ' VAL . 1.1 m -87.63 126.28 34.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -81.06 9.7 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 163' ' ' GLU . 43.5 t -103.11 138.23 28.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -65.74 -28.36 68.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.655 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -59.13 -40.76 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.691 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -68.16 -44.95 74.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.6 ' HG3' ' N ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -63.82 -39.49 94.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.6 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 19.1 mt -68.55 -42.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.625 ' HG2' HD23 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -69.44 -51.31 37.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.6 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -62.49 -50.66 70.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.7 -50.36 66.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 56.6 mtt180 -57.21 -36.11 70.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.942 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.32 -41.9 55.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.546 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -67.04 -20.61 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -106.77 -1.35 22.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 170' ' ' ARG . 9.3 ttm-85 -75.2 151.61 38.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.29 103.04 14.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.766 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -89.82 139.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.917 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 47.59 20.7 1.14 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.122 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.11 -4.4 70.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.9 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -121.72 139.47 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.671 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.34 145.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 171' ' ' LEU . 2.5 tp -62.44 -43.35 99.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -52.07 -17.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.671 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 2.7 mm-40 -84.18 -37.67 21.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.845 ' CH2' HD12 ' A' ' 206' ' ' ILE . 96.1 m95 -74.7 31.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.621 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -142.39 12.78 2.51 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.0 110.956 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.4 m -149.75 158.13 43.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 110.402 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 11.0 t -102.89 130.34 49.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.86 10.33 40.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.77 -172.46 46.46 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -71.2 -33.84 70.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.9 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.48 -49.44 72.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.505 ' O ' HG12 ' A' ' 195' ' ' VAL . 3.2 t -57.24 -47.03 82.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -68.27 -34.75 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.764 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.32 -49.62 76.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.033 ' HA ' HD23 ' A' ' 202' ' ' LEU . 7.1 p -65.16 -32.97 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 192' ' ' SER . 0.9 OUTLIER -55.05 -32.01 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -74.45 -75.36 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.864 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -88.27 137.06 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.673 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -112.91 -64.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.673 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -74.98 -36.65 2.44 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -40.26 57.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.033 HD23 ' HA ' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -73.96 -48.04 33.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.578 ' CG ' ' O ' ' A' ' 199' ' ' SER . 5.5 ppt_? -58.18 -29.96 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -74.98 -51.56 13.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -77.64 -44.09 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.917 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.4 mm -57.43 -46.86 85.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.566 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 97.6 m -64.79 -47.44 78.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.378 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.9 -37.04 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -74.09 -40.92 62.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 123' ' ' LEU . 0.2 OUTLIER -58.01 -45.8 86.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.594 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 5.0 t-160 -60.98 -33.22 72.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -74.11 -37.14 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.942 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -60.27 -41.64 87.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 214' ' ' MET . 16.6 tpp -65.53 -34.77 79.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 23.3 t -57.08 -47.18 81.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.1 71.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 213' ' ' VAL . 56.3 t -62.47 -36.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.62 -24.95 67.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -47.55 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 1.0 OUTLIER -72.97 -43.63 62.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 21.0 mtm180 -57.14 -52.08 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -57.82 -32.93 68.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.15 65.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 4.4 t -72.13 -47.62 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.57 -35.83 68.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -35.65 74.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -63.1 -48.82 76.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.799 ' HA ' HG13 ' A' ' 231' ' ' VAL . 19.2 m -70.6 -26.11 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -46.91 80.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 231' ' ' VAL . 0.0 OUTLIER -88.55 -37.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.799 HG13 ' HA ' ' A' ' 228' ' ' VAL . 0.0 OUTLIER 40.63 94.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.438 1.087 . . . . 0.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 34.2 mtp -61.17 -39.03 88.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.9 p -59.68 -41.48 90.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -55.55 -40.16 71.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.489 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.33 -38.74 96.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.001 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -79.04 -23.53 44.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.35 -47.37 86.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 144' ' ' ALA . 0.4 OUTLIER -68.99 -35.86 77.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.898 ' HB1' ' CE ' ' A' ' 214' ' ' MET . . . -55.79 -26.02 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.2 t -55.79 -29.97 60.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.89 -29.77 69.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' A' ' 210' ' ' LEU . 1.8 mp -60.3 -28.72 68.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.52 -18.12 64.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.3 t -124.45 30.32 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.379 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.733 HD11 ' HA ' ' A' ' 131' ' ' LEU . 31.3 tp -58.55 170.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.698 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -139.1 -176.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.425 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.698 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.0 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.801 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.87 -26.84 40.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.785 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.11 -40.87 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.61 -45.78 70.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -77.97 -49.87 13.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -65.33 -54.39 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.82 ' O ' ' N ' ' A' ' 138' ' ' LEU . 2.3 mt-10 -63.36 -21.8 66.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.686 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -53.15 -51.05 63.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.644 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.0 t -73.86 -39.75 63.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 -72.01 -46.35 57.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.853 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 5.8 mp -73.84 -2.69 24.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.579 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -118.32 8.81 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -151.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.95 115.56 7.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 143' ' ' GLY . 0.4 OUTLIER 77.12 5.4 3.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.06 138.73 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.853 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.09 -47.02 66.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.899 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -69.9 -31.24 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -80.08 -42.67 23.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.2 p -63.93 -31.91 73.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.823 HD11 HD21 ' A' ' 181' ' ' LEU . 0.1 OUTLIER -62.03 -45.79 92.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.536 ' HA ' HD11 ' A' ' 172' ' ' LEU . 0.0 OUTLIER -63.0 -44.17 96.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 3.7 m -72.13 -45.32 61.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 1.001 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -57.08 -46.0 82.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.431 ' HB3' ' CD2' ' A' ' 172' ' ' LEU . 14.3 mt -62.14 -49.97 73.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.447 ' N ' HD21 ' A' ' 172' ' ' LEU . . . -57.62 -34.88 69.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -70.62 -32.27 67.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -80.55 -36.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 1.6 ttt85 -55.12 -27.9 48.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.74 -2.11 9.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -113.07 2.33 25.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 155' ' ' ILE . 60.1 p -94.83 132.26 39.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 109.996 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -77.24 1.51 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 163' ' ' GLU . 6.8 t -123.05 128.71 75.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -60.65 -26.22 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.458 ' HG3' ' CG1' ' A' ' 161' ' ' VAL . 1.1 mt-10 -58.6 -41.0 84.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.685 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.5 OUTLIER -60.71 -44.81 96.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 3.9 ttt180 -62.06 -46.05 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 162' ' ' GLU . 2.6 mt -63.15 -43.99 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -50.08 43.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -58.99 -49.72 76.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.582 1.176 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -56.67 -50.39 63.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -58.18 -34.67 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 0.741 . . . . 0.0 110.311 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.9 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -74.32 -43.36 57.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -67.05 -21.77 65.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.84 -4.38 22.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 180' ' ' ALA . 26.3 ttm-85 -65.18 155.0 36.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.1 95.55 5.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.883 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.6 mm -77.78 133.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.735 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.76 21.48 0.88 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.517 ' O ' HD13 ' A' ' 179' ' ' ILE . . . 95.62 -3.55 65.66 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 1.032 HG21 ' N ' ' A' ' 191' ' ' ALA . 32.0 mm -117.42 129.57 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.809 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -38.29 142.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.9 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.0 OUTLIER -57.77 -47.54 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.89 -16.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.86 ' HB2' HG22 ' A' ' 179' ' ' ILE . 4.0 mm100 -82.05 -40.96 21.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.899 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.4 m95 -71.34 -6.76 42.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 107.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -101.6 16.7 56.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.19 163.11 40.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 110.459 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 5.6 t -110.52 133.29 53.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.6 6.98 56.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.69 -156.84 30.73 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.693 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -78.54 -37.65 42.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 1.032 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.23 -45.92 75.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 33.1 t -56.64 -42.93 79.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -69.56 -39.81 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.662 HD21 ' O ' ' A' ' 177' ' ' GLY . 1.9 tp -59.12 -47.17 86.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.534 HG21 HD13 ' A' ' 131' ' ' LEU . 13.2 p -72.04 -24.43 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 196' ' ' LEU . 0.2 OUTLIER -53.38 -39.89 64.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -71.23 -74.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.694 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -89.77 139.5 30.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.682 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -113.67 -65.06 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.682 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -74.98 -37.98 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 205' ' ' GLU . 2.1 tt0 -75.1 -38.65 61.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.823 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.2 OUTLIER -73.71 -48.19 33.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.752 ' HA ' HD12 ' A' ' 131' ' ' LEU . 3.5 ppt_? -60.62 -37.43 81.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.475 ' N ' ' HD2' ' A' ' 203' ' ' ARG . 0.3 OUTLIER -68.72 -48.43 63.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.339 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 201' ' ' GLU . 11.2 mt-10 -73.21 -44.68 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.823 ' CG1' HD13 ' A' ' 202' ' ' LEU . 5.0 mm -63.09 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.638 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 17.1 m -60.92 -47.01 88.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -58.49 -38.25 77.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.534 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.34 -39.45 65.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.9 mt -59.17 -44.46 92.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -61.98 -36.2 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -74.64 -36.04 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.848 HG21 HD11 ' A' ' 176' ' ' ILE . 1.2 t -74.64 -46.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.898 ' CE ' ' HB1' ' A' ' 120' ' ' ALA . 18.3 tpp -64.13 -33.49 75.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 28.8 t -57.42 -45.57 84.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.01 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.63 -33.6 71.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.526 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 14.9 t -66.93 -42.37 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.535 ' HA ' ' CD ' ' A' ' 221' ' ' ARG . . . -57.4 -33.76 68.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.96 -27.42 57.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.044 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.42 -48.74 38.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.535 ' CD ' ' HA ' ' A' ' 218' ' ' ALA . 0.5 OUTLIER -66.96 -48.23 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -57.13 -36.26 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.2 -41.94 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 220' ' ' LEU . 59.5 t -65.34 -34.84 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.849 ' HB2' HD21 ' A' ' 114' ' ' LEU . 1.2 tt0 -62.84 -45.17 93.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 5.3 m -56.6 -41.8 77.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.984 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.99 -35.89 77.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.2 t -59.38 -31.53 46.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 34.2 m -72.35 -36.65 68.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -66.53 -36.79 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 44.5 t -61.33 -45.21 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.02 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.2 tpt -57.83 -34.64 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.6 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.2 m -68.46 -41.22 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -37.85 73.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -35.05 79.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -59.87 -42.82 98.34 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.982 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 3.7 mt -79.2 -22.47 44.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -55.2 -43.35 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.779 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 1.6 tttt -60.57 -21.01 62.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -70.17 -24.49 63.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -54.39 -30.02 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 125' ' ' THR . 5.2 mt-10 -70.89 -33.56 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.745 ' CD1' HD22 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -58.74 -31.5 68.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.401 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -60.24 -17.71 43.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.7 t -126.23 33.98 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.745 HD22 ' CD1' ' A' ' 123' ' ' LEU . 13.4 tp -58.49 172.1 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.67 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -131.2 -178.7 0.88 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.552 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.09 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 4.1 tt0 -74.82 -38.91 61.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.751 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -67.91 -29.14 73.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.502 1.127 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.009 HD23 HG21 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -56.89 -46.45 81.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.42 -50.98 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.158 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -66.84 -58.51 4.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.848 ' HG3' HD13 ' A' ' 138' ' ' LEU . 0.3 OUTLIER -61.5 -17.3 54.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.772 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.3 OUTLIER -57.66 -51.74 68.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -71.46 -36.81 71.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -71.13 -44.65 65.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.7 mp -78.68 -4.44 49.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.58 12.39 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.52 -154.55 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.981 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.11 110.48 3.52 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.7 t0 82.83 2.36 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 0.728 . . . . 0.0 109.341 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -33.22 142.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.464 1.102 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.908 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -69.06 -45.79 69.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.767 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.934 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.0 OUTLIER -68.95 -32.41 71.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -81.5 -36.94 28.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 143' ' ' GLY . 35.0 t -70.01 -32.47 70.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.827 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -60.78 -44.96 96.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 172' ' ' LEU . 28.4 t -70.34 -35.87 73.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -45.55 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.982 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -63.38 -34.58 78.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.828 ' HG ' HD11 ' A' ' 117' ' ' LEU . 10.7 mt -65.51 -50.55 64.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.34 -38.06 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -64.45 -31.94 82.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.832 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -75.96 -35.76 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -59.68 -28.86 67.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -114.44 -0.54 13.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -101.0 -54.47 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 0.2 OUTLIER -54.84 139.56 39.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -90.35 33.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.513 HG12 ' H ' ' A' ' 163' ' ' GLU . 12.4 t -149.74 136.84 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 1.7 pm0 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.513 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -59.77 -34.59 73.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 0.4 OUTLIER -70.79 -44.69 66.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.565 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -70.77 -35.32 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.522 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 8.7 mm -65.46 -42.93 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.73 -47.55 66.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.562 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -67.1 -43.01 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.27 -49.91 71.53 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 173' ' ' GLU . 0.0 OUTLIER -57.1 -33.72 67.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.5 -42.71 52.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.42 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 170' ' ' ARG . 8.0 pt-20 -104.91 -4.54 22.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.419 HH21 HG23 ' A' ' 213' ' ' VAL . 0.1 OUTLIER -67.38 148.92 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.02 89.79 3.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.849 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.2 mm -69.55 134.46 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.779 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.6 22.62 0.73 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.69 -2.88 67.5 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.928 HG21 ' N ' ' A' ' 191' ' ' ALA . 33.0 mm -119.85 131.58 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' HG3' ' A' ' 183' ' ' GLN . . . -38.21 140.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.811 HD13 ' CD1' ' A' ' 171' ' ' LEU . 1.8 tp -56.94 -47.46 80.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.12 -21.09 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.816 ' HG3' ' HB3' ' A' ' 180' ' ' ALA . 8.4 mm-40 -76.95 -41.61 42.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.934 ' O ' HD13 ' A' ' 145' ' ' LEU . 94.1 m95 -69.9 -8.93 52.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.422 ' HA2' ' C ' ' A' ' 145' ' ' LEU . . . -96.99 16.48 60.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.03 160.79 43.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.99 144.74 33.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 84.87 7.09 84.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.41 -156.25 29.53 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.662 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -77.18 -43.25 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.928 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.68 75.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.4 m -56.51 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.89 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.906 HD22 HG12 ' A' ' 179' ' ' ILE . 3.9 tp -59.16 -47.52 84.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.009 HG21 HD23 ' A' ' 131' ' ' LEU . 13.0 p -70.78 -24.88 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 196' ' ' LEU . 3.2 tt -54.11 -38.38 65.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.96 -76.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.629 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -81.88 139.64 34.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -112.55 -65.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -38.68 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.876 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -74.45 -48.25 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.662 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.2 ppt_? -61.86 -33.56 74.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' NE ' ' A' ' 203' ' ' ARG . 0.4 OUTLIER -73.3 -47.89 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 22.4 mt-10 -73.14 -47.86 40.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.876 ' CG1' HD13 ' A' ' 202' ' ' LEU . 17.0 mm -59.52 -45.39 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.662 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 52.7 m -60.69 -47.39 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -57.93 -39.05 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.549 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -73.59 -39.63 64.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.57 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.1 mt -58.23 -45.13 88.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.401 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 13.6 t-160 -58.51 -39.61 80.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -71.53 -32.59 68.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -64.72 -38.7 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 214' ' ' MET . 11.1 tpp -68.15 -34.51 76.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 26.0 t -56.58 -47.37 79.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -70.89 -33.9 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.571 HG11 HD22 ' A' ' 117' ' ' LEU . 15.4 t -66.35 -32.49 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -46.3 36.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.01 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.3 pp -71.76 -45.57 61.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.513 ' N ' HD12 ' A' ' 220' ' ' LEU . 25.4 mtm180 -58.96 -49.72 76.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -32.67 66.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.41 -41.36 66.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.9 t -68.82 -47.77 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -56.1 -38.6 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.1 t -58.09 -42.39 85.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -73.31 -39.4 65.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 224' ' ' VAL . 78.0 t -59.31 -36.41 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 74.8 m -72.32 -42.51 65.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 13.3 ttt-85 -53.06 -34.72 57.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 51.3 t -45.8 -37.06 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.3 tpp -57.97 -34.55 70.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.5 m -71.25 -41.06 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -40.1 88.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -58.95 -43.06 91.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.459 ' C ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.86 -34.47 87.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.923 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -78.29 -30.18 48.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.06 -38.07 72.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.49 ' O ' ' HB1' ' A' ' 144' ' ' ALA . 0.5 OUTLIER -60.25 -28.87 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -59.48 -24.81 63.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 m -54.57 -28.75 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 125' ' ' THR . 1.8 mm-40 -72.89 -48.07 40.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.738 ' CD2' HD22 ' A' ' 148' ' ' LEU . 0.5 OUTLIER -58.2 -32.0 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.17 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.0 t -121.49 36.33 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' A' ' 131' ' ' LEU . 53.2 tp -63.71 166.02 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.2 p -135.21 -176.61 0.6 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.562 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.32 -25.77 59.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.898 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.6 -39.58 21.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 195' ' ' VAL . 2.4 tt -55.3 -27.24 45.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.99 -49.42 8.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -94.29 -50.88 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -52.93 -39.8 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 7.5 t-80 -57.2 -49.08 77.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.7 t -59.65 -47.47 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.73 -44.5 56.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.715 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mt -67.84 -10.13 50.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.75 -0.44 15.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 141' ' ' GLY . 42.4 t -91.83 -150.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -68.08 118.09 9.18 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.4 t0 79.43 -1.97 2.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -39.13 138.17 0.97 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.576 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -67.34 -43.32 81.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.795 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.1 mt -69.34 -31.84 70.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 6.3 ttt85 -80.55 -43.32 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' GLY . 8.6 t -66.85 -27.03 67.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.772 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -62.84 -46.84 86.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 172' ' ' LEU . 15.1 t -69.98 -39.14 76.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.968 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -46.04 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.923 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -62.92 -34.96 78.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 168' ' ' ALA . 9.1 mt -67.31 -50.18 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.36 76.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.71 -32.18 82.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.75 HG12 HG11 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -79.91 -35.03 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.76 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.496 ' HA ' ' HA ' ' A' ' 165' ' ' ARG . 53.4 ttp180 -66.09 -26.85 67.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.68 3.45 12.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -117.19 -21.84 4.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 84.3 p -75.65 139.12 41.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.046 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 227' ' ' GLU . 45.9 mt-30 -90.05 10.37 24.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 163' ' ' GLU . 82.3 t -128.88 134.8 63.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.0 OUTLIER -63.1 -31.15 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.598 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.3 tt0 -59.82 -34.28 72.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.515 ' OG ' HG22 ' A' ' 224' ' ' VAL . 31.8 m -69.37 -45.13 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.561 ' CD ' ' C ' ' A' ' 165' ' ' ARG . 0.0 OUTLIER -68.2 -37.27 80.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.555 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 34.6 mt -64.27 -42.65 96.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 87.1 mt-30 -70.07 -49.04 55.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.76 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -63.5 -49.59 72.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.0 -49.01 74.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.137 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -57.18 -34.34 68.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.022 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -75.63 -40.46 56.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.573 HD12 HD23 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -65.12 -21.31 66.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -104.37 -6.66 20.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 0.0 OUTLIER -63.64 150.69 43.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -107.39 102.98 12.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.721 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.6 mp -89.62 141.24 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.643 ' O ' HD21 ' A' ' 194' ' ' LEU . . . 45.62 19.66 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.03 -4.29 67.7 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 183' ' ' GLN . 11.6 mm -117.87 133.56 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.56 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -40.88 148.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -62.8 -46.34 88.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.62 -15.28 2.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.795 ' HB2' HG22 ' A' ' 179' ' ' ILE . 55.1 mm-40 -85.87 -39.66 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.795 ' O ' HD13 ' A' ' 145' ' ' LEU . 99.2 m95 -74.08 -0.53 16.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.469 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -113.78 16.82 20.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.18 165.51 29.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.783 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 18.2 m -113.89 134.14 55.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 97.94 13.14 44.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -94.45 -159.92 34.08 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.712 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -81.87 -34.56 30.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 0.802 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.702 ' HB1' ' CE3' ' A' ' 184' ' ' TRP . . . -55.75 -43.11 76.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.574 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.2 OUTLIER -57.99 -44.03 86.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -69.99 -37.34 75.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.643 HD21 ' O ' ' A' ' 177' ' ' GLY . 0.7 OUTLIER -60.02 -47.4 86.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.962 HG23 HD21 ' A' ' 202' ' ' LEU . 7.7 p -64.9 -31.91 55.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 196' ' ' LEU . 5.6 mt -56.76 -32.78 65.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -82.47 -74.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.97 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -82.5 142.37 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.728 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -125.25 -67.1 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.728 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.98 -39.89 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.6 tp10 -74.42 -37.67 63.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.97 HD22 ' O ' ' A' ' 198' ' ' ALA . 0.0 OUTLIER -70.3 -45.46 66.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.73 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -60.18 -50.01 75.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.501 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 0.2 OUTLIER -57.15 -47.21 81.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 16.7 mt-10 -74.58 -49.62 21.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.744 ' CD1' ' CZ2' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -61.7 -45.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.73 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 86.6 m -61.88 -48.54 80.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 22.4 t70 -60.76 -40.83 93.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.2 OUTLIER -73.33 -37.64 66.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.723 HD22 ' CD1' ' A' ' 123' ' ' LEU . 6.0 mt -63.23 -44.16 96.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -57.83 -37.01 73.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.594 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -33.42 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.022 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.62 -41.97 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 6.0 tpt -62.04 -39.28 91.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 47.4 t -56.32 -42.58 77.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -68.34 -34.06 75.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.524 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 39.4 t -64.22 -34.25 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.28 67.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -46.81 30.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.04 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.5 pp -72.16 -45.29 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 34.9 mtm180 -57.48 -50.44 73.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -58.07 -33.0 68.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.79 -41.95 64.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.2 t -71.81 -46.6 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.35 -41.85 73.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 52.9 p -56.73 -37.35 70.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.982 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 160' ' ' GLN . 11.3 mt-10 -72.29 -41.47 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 224' ' ' VAL . 13.7 t -59.13 -41.97 85.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 232' ' ' SER . 0.5 OUTLIER -73.06 -43.94 61.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -36.6 69.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 228' ' ' VAL . 0.3 OUTLIER -85.69 -15.38 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 229' ' ' SER . 33.5 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 tpp -58.49 -40.27 82.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.772 ' O ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p -59.55 -42.9 93.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -36.94 68.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -36.54 69.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.84 -44.24 98.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.927 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 6.2 mt -79.76 -21.59 44.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -55.28 -45.73 76.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.573 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.8 tptt -62.48 -22.47 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -64.09 -23.2 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 t -53.73 -31.6 48.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -69.13 -29.45 67.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' A' ' 210' ' ' LEU . 21.4 mt -58.23 -25.0 61.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.94 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 122' ' ' GLU . 7.5 t -110.66 18.94 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 131' ' ' LEU . 23.8 tp -49.09 170.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.518 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -140.89 179.92 1.14 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.387 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.518 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.98 -46.28 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -75.24 -30.24 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.869 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.51 -46.07 12.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.061 HD22 HD21 ' A' ' 202' ' ' LEU . 9.0 tt -57.1 -22.35 38.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.45 7.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -96.49 -47.8 5.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.869 ' N ' ' O ' ' A' ' 130' ' ' GLY . 2.2 tt0 -56.74 -38.31 72.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.587 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 0.4 OUTLIER -56.64 -49.27 75.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.664 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.0 t -59.21 -44.99 92.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -45.24 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.825 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 1.8 mp -69.73 -7.6 40.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.03 0.08 15.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t -93.18 -149.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -75.45 117.89 5.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 10.0 t0 83.86 -5.94 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -40.65 140.57 1.07 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.825 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -63.48 -42.29 98.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -69.28 -32.24 71.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -80.98 -36.97 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 143' ' ' GLY . 5.0 t -63.31 -36.95 85.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.77 ' HB2' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.35 -47.06 87.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.3 t -62.99 -37.27 86.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.17 -44.6 52.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.416 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.927 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -66.15 -34.43 78.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.741 ' HG ' HD21 ' A' ' 117' ' ' LEU . 7.8 mt -66.17 -49.31 67.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.07 85.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.14 -30.5 57.82 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.777 HG12 HG11 ' A' ' 224' ' ' VAL . 0.7 OUTLIER -79.73 -36.82 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.437 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 31.1 mtm180 -57.8 -27.6 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -121.94 -0.89 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -96.45 -55.35 1.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.941 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.3 OUTLIER -55.84 144.0 29.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 110.052 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -94.52 20.81 7.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.739 HG23 ' OE1' ' A' ' 227' ' ' GLU . 24.2 t -129.81 131.67 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -61.83 -29.46 70.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.478 ' H ' HG12 ' A' ' 161' ' ' VAL . 0.3 OUTLIER -59.41 -42.62 92.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.612 ' OG ' HG22 ' A' ' 224' ' ' VAL . 1.8 m -60.39 -45.07 94.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' ' 156' ' ' ARG . 6.4 mtt180 -61.84 -43.71 98.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.455 HD13 ' HA ' ' A' ' 166' ' ' ILE . 8.2 mm -67.45 -38.61 81.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 4.0 tt0 -68.01 -50.04 57.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.437 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.44 -43.5 73.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.9 -45.53 93.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -36.42 67.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 110.351 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.822 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.06 -41.26 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.698 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -66.15 -20.61 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.49 -6.48 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HB2' ' HA ' ' A' ' 171' ' ' LEU . 1.2 ttm-85 -67.49 150.01 49.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.8 101.65 13.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.913 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -87.31 139.05 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 47.58 21.36 1.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.6 -5.22 69.99 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.948 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.0 OUTLIER -123.44 140.1 48.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.842 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -38.99 141.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.822 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.3 OUTLIER -61.17 -45.89 92.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -54.41 -15.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.842 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 42.7 mm-40 -84.31 -39.94 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.704 ' NE1' ' O ' ' A' ' 176' ' ' ILE . 95.0 m95 -68.61 -9.11 47.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 107.988 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.5 19.27 39.78 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.3 t -158.11 160.28 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 110.415 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 9.6 t -108.37 149.28 28.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 93.3 7.15 62.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -96.16 -158.97 32.13 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.543 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -82.23 -35.41 28.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.948 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.51 -47.54 76.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.516 ' O ' ' CG1' ' A' ' 195' ' ' VAL . 87.8 p -55.48 -41.41 72.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -70.45 -40.16 73.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.621 HD22 HD13 ' A' ' 179' ' ' ILE . 3.6 tp -57.6 -48.2 80.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.858 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.4 p -63.82 -35.62 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -26.81 40.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -76.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.701 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -75.08 144.69 42.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.692 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -134.53 -65.15 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.692 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.96 -38.75 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -41.91 38.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.061 HD21 HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -61.97 -46.54 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' A' ' 207' ' ' THR . 3.1 ppt_? -59.63 -26.87 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.574 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -80.64 -52.67 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -78.47 -51.54 9.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.686 HG13 HD12 ' A' ' 202' ' ' LEU . 9.3 mm -53.47 -43.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.742 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 73.1 m -67.05 -45.17 78.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.458 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -37.62 70.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.913 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.18 -41.23 61.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -60.13 -44.71 94.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -57.56 -40.78 79.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.592 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -73.42 -33.79 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.762 HG13 HD11 ' A' ' 171' ' ' LEU . 8.9 t -62.14 -46.08 97.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 9.6 tpt -58.19 -40.08 80.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 8.3 t -56.91 -42.64 80.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -33.94 71.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 17.2 t -62.16 -38.28 80.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -63.55 -25.38 68.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -47.01 31.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 224' ' ' VAL . 3.6 pp -72.13 -44.89 62.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 13.3 mtm180 -58.5 -50.56 73.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.08 -33.42 67.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -66.97 -40.7 87.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.941 HG13 ' OG ' ' A' ' 159' ' ' SER . 4.0 t -72.84 -46.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -36.79 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 3.4 m -60.71 -43.09 98.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.739 ' OE1' HG23 ' A' ' 161' ' ' VAL . 21.4 mt-10 -69.53 -40.32 76.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 224' ' ' VAL . 19.7 t -58.96 -39.38 77.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.4 m -72.56 -29.81 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -72.98 -35.59 66.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -83.97 -18.34 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 9.8 tpt -57.35 -42.73 82.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.3 m -63.06 -36.64 84.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.669 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.92 -50.88 71.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -58.19 -33.92 69.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.31 -41.18 99.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -78.06 -23.11 48.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.13 -47.85 80.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.664 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 10.1 tttt -72.19 -31.24 65.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.472 ' CB ' ' HE1' ' A' ' 214' ' ' MET . . . -56.19 -25.01 45.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.6 t -55.8 -36.5 67.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.765 ' HA ' HG22 ' A' ' 125' ' ' THR . 11.1 tt0 -59.15 -30.18 67.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.746 HD22 ' HG ' ' A' ' 145' ' ' LEU . 33.3 mt -58.19 -28.79 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.37 -19.41 46.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 122' ' ' GLU . 5.8 t -116.06 24.03 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.889 HD21 HD23 ' A' ' 131' ' ' LEU . 62.1 tp -52.95 169.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.566 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.1 p -134.09 171.98 8.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.523 ' HA ' ' HG3' ' A' ' 203' ' ' ARG . 18.4 Cg_endo -74.95 -44.57 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 130' ' ' GLY . 0.0 OUTLIER -71.8 -30.88 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.934 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.9 -31.78 42.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.914 HD13 ' CG2' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -53.87 -37.41 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.03 -26.75 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -107.52 -63.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.934 ' N ' ' O ' ' A' ' 130' ' ' GLY . 1.2 mm-40 -46.94 -39.04 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.611 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 6.4 t-80 -56.4 -49.36 74.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -59.26 -46.7 87.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -73.99 -44.87 53.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.762 HD22 ' HB3' ' A' ' 134' ' ' GLU . 2.8 mp -68.18 -11.0 58.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -109.75 0.47 18.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.11 -158.77 0.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -64.89 118.55 12.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 2.8 t70 82.82 -6.92 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -39.16 135.11 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -59.26 -42.83 92.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 148' ' ' LEU . 0.9 OUTLIER -69.41 -31.81 70.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 2.4 ttt85 -78.36 -38.13 42.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 t -68.56 -30.75 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.015 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.901 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.99 -45.85 91.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.502 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.6 t -67.64 -46.27 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.5 -45.72 82.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.77 -45.43 92.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.62 HD22 ' HA ' ' A' ' 168' ' ' ALA . 27.7 mt -55.26 -49.53 71.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.05 -40.61 81.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.63 -31.93 76.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.7 HG12 HG11 ' A' ' 224' ' ' VAL . 1.5 mt -76.16 -38.69 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.568 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 11.3 mtm180 -58.71 -27.78 65.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -120.88 8.16 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -119.81 -9.02 8.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 60.5 p -90.45 136.59 32.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.96 7.04 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 163' ' ' GLU . 53.8 t -132.45 137.81 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.8 OUTLIER -65.57 -28.76 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.662 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.8 tp10 -58.92 -36.84 75.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.53 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 1.0 OUTLIER -61.3 -43.87 98.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 169' ' ' GLY . 16.1 ttt180 -65.42 -36.97 85.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.437 HD13 ' HA ' ' A' ' 166' ' ' ILE . 9.7 mm -63.69 -41.39 92.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 68.9 mt-30 -67.91 -49.44 61.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.62 ' HA ' HD22 ' A' ' 152' ' ' LEU . . . -68.41 -45.07 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -58.36 -48.35 84.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.36 -35.21 67.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.78 HD12 HD22 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.1 -40.2 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -64.88 -20.74 66.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -109.03 -3.71 17.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.709 ' HD2' HD11 ' A' ' 176' ' ' ILE . 17.2 ttm180 -70.73 149.99 46.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 180' ' ' ALA . 0.0 OUTLIER -105.73 99.54 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.723 HD13 ' HB2' ' A' ' 181' ' ' LEU . 1.7 mp -82.75 139.49 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.654 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.91 21.18 0.55 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.03 -3.48 70.22 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.927 HG21 ' N ' ' A' ' 191' ' ' ALA . 36.5 mm -118.45 131.64 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.747 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -42.09 144.48 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.78 HD22 HD12 ' A' ' 171' ' ' LEU . 4.0 tp -58.0 -47.87 81.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -53.41 -16.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.856 ' HB2' HG22 ' A' ' 179' ' ' ILE . 61.2 mm-40 -84.47 -40.99 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.883 ' O ' HD13 ' A' ' 145' ' ' LEU . 98.8 m95 -71.42 -9.87 58.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 146' ' ' ARG . . . -107.72 19.32 33.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 18.5 m -145.66 148.46 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.372 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.6 t -98.37 124.8 43.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.28 10.98 40.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -88.04 -156.84 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.612 ' HB3' HG23 ' A' ' 179' ' ' ILE . . . -81.9 -38.96 24.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.927 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -44.63 74.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.423 ' O ' HG12 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -57.1 -39.67 75.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -70.09 -41.59 73.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.773 HD22 HG12 ' A' ' 179' ' ' ILE . 1.3 tp -58.27 -47.28 84.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.914 ' CG2' HD13 ' A' ' 131' ' ' LEU . 9.0 p -67.81 -25.89 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.86 -49.08 69.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -67.01 -69.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.088 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.672 ' CB ' HD23 ' A' ' 202' ' ' LEU . . . -95.72 135.3 37.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.683 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -114.45 -64.66 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.049 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.683 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.4 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 1.4 tp10 -72.52 -45.24 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 206' ' ' ILE . 0.3 OUTLIER -69.74 -41.7 74.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -57.57 -48.8 78.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 9.5 mtt180 -59.12 -46.82 87.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 12.6 mt-10 -73.45 -42.98 61.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.825 HD12 ' CZ2' ' A' ' 184' ' ' TRP . 3.6 mm -68.34 -41.76 83.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.632 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 54.2 m -61.97 -47.28 85.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.38 -40.02 81.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.69 ' C ' ' CD ' ' A' ' 209' ' ' GLN . 0.1 OUTLIER -73.44 -38.63 65.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' A' ' 123' ' ' LEU . 3.7 mt -59.15 -44.61 92.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -58.72 -39.9 82.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.622 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.1 -35.13 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.479 HG21 ' CG1' ' A' ' 176' ' ' ILE . 0.9 OUTLIER -68.97 -37.14 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.472 ' HE1' ' CB ' ' A' ' 120' ' ' ALA . 12.4 tpp -68.0 -34.94 77.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 40.8 t -57.1 -47.96 79.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.4 -34.24 70.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.579 ' HA ' ' CD2' ' A' ' 220' ' ' LEU . 6.6 t -70.39 -31.69 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.722 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -70.88 -23.84 62.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -46.53 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.926 HD12 ' N ' ' A' ' 221' ' ' ARG . 4.4 pp -64.06 -49.8 70.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.926 ' N ' HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -61.97 -51.56 67.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 218' ' ' ALA . 58.9 tt0 -56.73 -32.96 66.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.58 -42.05 62.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.7 HG11 HG12 ' A' ' 155' ' ' ILE . 41.3 t -66.81 -42.5 89.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.669 ' HB2' HD21 ' A' ' 114' ' ' LEU . 2.0 pt-20 -56.32 -43.02 78.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -56.33 -42.62 77.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 223' ' ' ALA . 34.7 mt-10 -59.45 -40.69 87.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 224' ' ' VAL . 6.0 t -59.5 -41.98 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 2.5 m -72.65 -34.56 67.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' A' ' 232' ' ' SER . 0.3 OUTLIER -52.43 -36.97 55.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.3 p -43.46 -27.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 230' ' ' ARG . 2.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 10.8 tpt -62.17 -35.43 78.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.996 HG23 ' HA ' ' A' ' 151' ' ' ALA . 4.7 m -68.1 -32.13 72.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.462 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -56.35 -45.07 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -32.61 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.9 -51.95 55.85 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.986 ' HG ' ' HB3' ' A' ' 151' ' ' ALA . 2.9 mt -79.12 -22.35 45.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.87 -36.87 70.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.827 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 6.3 ttpt -71.69 -21.54 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -56.67 -23.33 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.91 -29.13 26.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.76 -29.9 62.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.038 ' CD1' HD12 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -58.45 -25.04 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.481 ' HB1' ' ND1' ' A' ' 211' ' ' HIS . . . -81.41 -18.7 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 6.7 p -112.36 22.26 14.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.24 169.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.558 ' O ' ' CB ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -139.42 -177.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.382 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -46.03 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.1 -37.3 61.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.745 ' O ' ' CB ' ' A' ' 134' ' ' GLU . . . -76.13 -28.52 60.19 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.539 1.15 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.785 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 5.0 tp -57.27 -46.75 82.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.28 -49.87 7.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -58.03 5.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -62.9 -14.32 45.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.785 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -60.02 -52.35 65.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.569 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.5 t -65.97 -41.67 90.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -71.51 -44.64 64.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.669 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.3 mt -74.26 -11.01 60.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.18 10.14 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.32 -153.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.75 113.46 5.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t70 81.69 -3.22 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -32.87 135.51 0.18 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.827 ' HB2' ' HG2' ' A' ' 119' ' ' LYS . . . -65.93 -36.85 84.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.038 HD12 ' CD1' ' A' ' 123' ' ' LEU . 0.5 OUTLIER -71.26 -40.09 71.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 109.234 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 185' ' ' GLY . 1.8 ttt85 -78.9 -35.58 43.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.539 ' N ' ' O ' ' A' ' 143' ' ' GLY . 83.6 p -67.18 -32.29 73.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.1 OUTLIER -60.46 -47.66 85.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.471 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 28.9 t -72.37 -36.22 68.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.967 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -45.31 76.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.996 ' HA ' HG23 ' A' ' 113' ' ' THR . . . -64.67 -35.79 82.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 172' ' ' LEU . 9.3 mt -60.59 -51.05 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -58.22 -44.86 88.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . -57.92 -31.34 64.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.555 1.16 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 224' ' ' VAL . 10.4 mt -68.52 -52.65 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -50.69 -28.5 9.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -92.16 -48.9 6.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . . . . . . . . . . . -83.03 15.85 30.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.595 ' N ' ' O ' ' A' ' 155' ' ' ILE . 9.7 p -90.14 108.42 19.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.03 -4.66 21.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.336 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.777 HG12 ' H ' ' A' ' 163' ' ' GLU . 93.4 t -128.83 142.22 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 20.6 pt-20 -66.04 -25.92 67.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.777 ' H ' HG12 ' A' ' 161' ' ' VAL . 1.7 tt0 -66.72 -39.12 87.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -45.14 96.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 14.7 ptp180 -71.54 -39.05 70.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 23.7 mt -62.84 -41.48 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 220' ' ' LEU . 0.5 OUTLIER -68.7 -48.23 64.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . . . . . . . . . . . -66.04 -42.35 89.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.89 -50.03 69.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -34.56 65.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.048 HD11 HG22 ' A' ' 213' ' ' VAL . 0.0 OUTLIER -74.95 -41.78 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.742 HD13 HD13 ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.91 -27.34 69.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.23 -3.65 33.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.56 142.75 51.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.72 100.36 13.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.834 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 0.6 OUTLIER -85.09 133.11 30.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.952 ' HA3' HD13 ' A' ' 206' ' ' ILE . . . 46.97 22.88 1.33 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.25 -4.45 70.51 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.878 HG12 HD22 ' A' ' 194' ' ' LEU . 17.7 mm -120.16 129.04 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 179' ' ' ILE . . . -38.37 143.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.81 HD13 ' CD1' ' A' ' 171' ' ' LEU . 2.0 tp -58.41 -43.09 88.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -51.86 -19.84 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.855 ' HB2' HG22 ' A' ' 179' ' ' ILE . 52.9 mm-40 -83.86 -39.77 19.48 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.89 ' CH2' HD12 ' A' ' 206' ' ' ILE . 91.2 m95 -75.78 35.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 107.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . 0.592 ' H ' ' C ' ' A' ' 183' ' ' GLN . . . -148.43 15.87 1.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 3.2 m -149.5 161.85 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 15.1 t -105.08 132.45 51.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.63 56.22 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.17 -170.51 46.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -73.08 -34.72 66.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.612 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.77 -46.68 77.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.17 -45.23 83.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -69.19 -36.62 77.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.878 HD22 HG12 ' A' ' 179' ' ' ILE . 1.4 tp -61.93 -48.16 81.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.819 ' HA ' HD23 ' A' ' 202' ' ' LEU . 14.6 p -71.38 -25.03 24.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.34 -42.41 66.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.69 -72.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.872 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -92.41 128.55 38.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.637 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -107.02 -62.91 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.637 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.05 -38.47 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -71.97 -46.1 58.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.872 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.4 OUTLIER -69.66 -40.02 76.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.726 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.31 -49.5 76.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.0 mmt180 -58.96 -47.76 83.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -75.83 -49.9 16.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.952 HD13 ' HA3' ' A' ' 177' ' ' GLY . 1.3 mm -59.06 -45.92 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.726 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 96.1 m -62.77 -46.99 85.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -57.49 -36.79 71.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.539 ' NE2' HD12 ' A' ' 176' ' ' ILE . 0.1 OUTLIER -73.7 -39.86 64.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.9 mt -58.41 -44.96 89.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.481 ' ND1' ' HB1' ' A' ' 124' ' ' ALA . 19.1 t60 -62.56 -32.75 73.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.652 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -74.39 -38.24 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.048 HG22 HD11 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -62.49 -38.62 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 8.5 tpt -64.16 -35.94 82.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 34.0 t -57.33 -47.94 80.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -34.46 69.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 213' ' ' VAL . 74.3 t -64.47 -31.65 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -62.37 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 3.3 mp -56.39 -48.59 76.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.956 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -74.23 -32.71 63.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.657 ' HE ' HD11 ' A' ' 155' ' ' ILE . 0.0 OUTLIER -55.7 -55.67 29.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.15 -32.15 72.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.3 99.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 220' ' ' LEU . 2.2 t -76.21 -48.78 27.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.462 ' HG3' HD21 ' A' ' 114' ' ' LEU . 4.2 tt0 -56.24 -34.48 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 33.3 t -63.38 -41.16 98.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.49 -44.15 58.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 224' ' ' VAL . 94.3 t -60.21 -38.03 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 31.1 t -70.96 -25.2 62.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.016 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -73.46 -36.08 65.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.71 -53.7 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.45 -36.28 78.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.6 m -60.05 -32.48 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD21 ' HG3' ' A' ' 225' ' ' GLU . 0.2 OUTLIER -66.69 -37.87 85.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -40.88 98.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.504 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.78 -37.98 94.49 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.557 1.161 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.898 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.1 OUTLIER -79.46 -25.63 41.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -57.12 -46.54 82.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.633 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 17.3 tttp -59.84 -29.01 67.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.18 -25.98 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 29.6 t -59.79 -30.09 68.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.13 -38.99 93.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.674 ' HB3' HD13 ' A' ' 210' ' ' LEU . 3.9 mm? -58.2 -23.47 55.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -67.29 -17.69 64.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 125' ' ' THR . 14.1 t -128.11 37.12 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.545 HD21 ' HG ' ' A' ' 131' ' ' LEU . 54.2 tp -63.25 168.07 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 1.3 p -135.11 176.9 2.52 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.447 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.539 ' HB3' ' CG ' ' A' ' 203' ' ' ARG . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 133' ' ' ARG . 3.2 pt-20 -70.86 -37.12 73.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.672 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -75.58 -25.72 67.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.831 ' O ' ' HB2' ' A' ' 135' ' ' HIS . 0.4 OUTLIER -56.39 -43.5 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.26 -50.01 7.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -69.51 -60.18 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.693 ' HG2' HD13 ' A' ' 138' ' ' LEU . 1.1 mt-10 -60.25 -14.25 16.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.831 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.6 OUTLIER -59.83 -52.73 64.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 109.611 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 140' ' ' SER . 4.7 t -72.19 -33.67 67.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -44.83 63.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.807 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 4.1 mp -81.09 -2.01 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -116.15 4.11 13.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 136' ' ' SER . 0.2 OUTLIER -95.48 -161.13 0.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.031 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.84 116.0 8.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.4 OUTLIER 83.33 -2.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.336 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.25 141.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.807 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -70.02 -45.4 67.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.844 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.8 OUTLIER -70.26 -32.14 69.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.361 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -80.17 -42.76 22.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 143' ' ' GLY . 23.3 t -69.13 -27.65 65.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.692 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . 0.2 OUTLIER -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.608 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.0 t -69.52 -41.43 76.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 2.2 m -69.12 -45.99 68.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.898 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -61.95 -34.76 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.633 HD23 HD21 ' A' ' 117' ' ' LEU . 13.0 mt -67.51 -49.73 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.48 76.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -60.92 -31.46 76.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.868 HG12 HG21 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -79.41 -35.36 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 156' ' ' ARG . 22.8 mtm105 -58.93 -27.36 65.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.3 3.6 9.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -115.53 -8.58 14.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.534 ' HA ' HG13 ' A' ' 224' ' ' VAL . 96.9 p -84.77 141.64 30.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.759 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.459 ' CB ' ' OE1' ' A' ' 227' ' ' GLU . 3.7 mt-30 -85.7 5.93 29.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.812 HG23 ' OE2' ' A' ' 227' ' ' GLU . 14.6 t -131.8 139.35 50.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -66.25 -33.32 75.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 161' ' ' VAL . 1.2 mt-10 -58.86 -34.69 71.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.469 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 15.4 m -60.08 -44.44 94.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -68.1 -39.68 82.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -42.03 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 220' ' ' LEU . 36.4 mt-30 -68.7 -48.54 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.685 ' HA ' HD22 ' A' ' 220' ' ' LEU . . . -67.07 -44.31 80.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.13 -48.4 83.28 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.565 1.166 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -33.89 64.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.013 HD22 HG13 ' A' ' 213' ' ' VAL . 7.3 mt -75.99 -44.34 40.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.608 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -63.55 -23.03 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.19 -9.39 19.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 0.4 OUTLIER -63.66 142.91 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.95 100.35 12.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.738 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -86.89 138.44 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.567 ' O ' ' CD2' ' A' ' 194' ' ' LEU . . . 48.47 21.52 2.08 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.77 -4.59 72.35 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 191' ' ' ALA . 1.1 mp -123.13 140.93 45.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.816 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -39.82 140.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 181' ' ' LEU . 1.8 tp -60.71 -45.1 95.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.66 -14.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.816 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 6.1 mm100 -84.68 -40.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.844 ' O ' HD13 ' A' ' 145' ' ' LEU . 93.5 m95 -67.73 -8.65 37.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 107.989 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -94.39 16.36 61.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 5.1 t -163.28 168.75 20.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.381 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 10.3 t -117.66 149.18 41.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.419 1.074 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 98.1 6.89 56.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -101.94 -157.34 26.36 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.556 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -74.68 -40.83 61.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.78 -48.53 72.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.561 ' O ' HG12 ' A' ' 195' ' ' VAL . 1.0 OUTLIER -56.2 -42.12 76.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.53 -39.25 74.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.884 HD13 HD13 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -61.67 -46.88 87.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.897 ' HA ' HD13 ' A' ' 202' ' ' LEU . 7.1 p -62.38 -35.56 70.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.1 mt -55.11 -28.05 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -77.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.726 ' O ' HD22 ' A' ' 202' ' ' LEU . . . -74.21 141.78 45.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.699 ' HB3' ' HD3' ' A' ' 200' ' ' PRO . 0.8 OUTLIER -130.89 -64.84 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.03 -39.41 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.39 -44.23 37.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -58.27 -45.58 87.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.2 OUTLIER -58.07 -27.4 63.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.564 ' N ' ' HG3' ' A' ' 203' ' ' ARG . 3.3 mmp_? -81.2 -51.79 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -78.87 -52.59 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.821 HG23 HE22 ' A' ' 209' ' ' GLN . 13.0 mm -52.66 -40.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.724 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 85.4 m -70.58 -46.88 62.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 110.389 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.08 -35.23 73.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.821 HE22 HG23 ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.77 -40.31 63.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.727 ' N ' ' HG2' ' A' ' 209' ' ' GLN . 0.9 OUTLIER -59.99 -45.15 93.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -57.77 -36.54 72.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.597 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -73.03 -33.75 65.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.013 HG13 HD22 ' A' ' 171' ' ' LEU . 94.4 t -62.8 -40.96 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.458 ' HE3' HG12 ' A' ' 217' ' ' VAL . 10.5 tpt -64.59 -35.64 81.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 16.4 t -56.74 -44.5 81.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.818 ' HB3' HD11 ' A' ' 171' ' ' LEU . 3.4 tt0 -68.93 -34.63 75.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.926 HG23 HD13 ' A' ' 171' ' ' LEU . 2.3 t -63.61 -33.74 63.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.41 66.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -47.12 30.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.037 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.8 OUTLIER -71.03 -45.55 63.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.522 ' HD3' ' CG1' ' A' ' 217' ' ' VAL . 17.6 mtm180 -58.37 -50.95 71.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.04 -32.96 68.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.69 -42.52 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.7 t -72.61 -47.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -59.18 -34.62 72.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.102 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -49.0 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.812 ' OE2' HG23 ' A' ' 161' ' ' VAL . 16.6 mt-10 -68.22 -43.59 77.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 224' ' ' VAL . 58.7 t -59.42 -35.03 56.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 51.0 m -62.24 -46.17 90.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -35.57 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 227' ' ' GLU . 79.3 t -60.62 -30.57 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 tpp -58.49 -45.68 88.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.1 m -59.44 -35.71 74.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.382 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -47.15 85.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -43.62 88.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.39 -37.13 93.58 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.873 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.4 -34.91 41.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' HA ' ' NH1' ' A' ' 221' ' ' ARG . 20.4 t70 -57.12 -31.67 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.636 ' HG3' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tptt -61.34 -34.81 75.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -53.54 -24.7 14.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.1 m -54.97 -29.06 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.587 ' O ' HG22 ' A' ' 125' ' ' THR . 0.8 OUTLIER -68.53 -35.09 76.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.8 HD21 ' HG ' ' A' ' 145' ' ' LEU . 9.1 mp -58.7 -36.14 73.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.03 -17.08 36.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -121.8 35.3 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 131' ' ' LEU . 6.6 tp -73.17 138.26 45.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' A' ' 131' ' ' LEU . 0.5 OUTLIER -108.78 -173.36 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 127' ' ' THR . 18.3 Cg_endo -74.95 -49.22 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.783 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.504 ' O ' ' CD ' ' A' ' 133' ' ' ARG . 45.9 mt-10 -78.27 -27.08 47.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.791 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.9 -41.08 23.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.866 ' CD2' HG21 ' A' ' 195' ' ' VAL . 3.3 tt -53.25 -40.46 64.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.4 -49.12 10.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -68.69 -54.83 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.827 ' O ' ' N ' ' A' ' 138' ' ' LEU . 52.8 mt-10 -61.27 -22.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.654 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -53.47 -51.36 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 t -72.92 -39.78 66.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -72.51 -46.25 55.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.2 mp -72.75 -3.78 27.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -114.88 1.06 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.4 p -92.94 -153.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -65.62 115.55 7.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 81.55 -1.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -36.11 138.07 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.796 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -67.95 -46.4 71.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 0.754 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.922 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.6 mt -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -43.28 27.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 143' ' ' GLY . 87.9 p -68.19 -28.08 66.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.777 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.3 -46.55 89.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' ' 172' ' ' LEU . 4.8 t -68.79 -43.13 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.963 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -44.97 78.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.37 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.873 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -58.49 -41.27 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.507 ' HB3' HD22 ' A' ' 172' ' ' LEU . 48.5 mt -60.8 -49.51 77.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.41 -36.27 71.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -64.89 -32.45 84.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.482 HG13 ' CG2' ' A' ' 113' ' ' THR . 24.3 mt -71.83 -42.52 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.567 0.804 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.508 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 40.4 mtm180 -56.77 -28.55 61.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -123.07 15.48 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -114.54 -36.94 1.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.603 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -80.09 148.9 30.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.039 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -92.39 23.74 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.696 HG12 ' H ' ' A' ' 163' ' ' GLU . 55.9 t -136.6 137.81 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 163' ' ' GLU . 0.6 OUTLIER -64.72 -28.05 69.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.696 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.4 tp10 -59.58 -34.33 72.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.535 ' CB ' ' CB ' ' A' ' 159' ' ' SER . 2.0 m -62.57 -44.82 95.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 169' ' ' GLY . 0.0 OUTLIER -68.04 -37.96 81.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 170' ' ' ARG . 16.5 mt -67.97 -41.19 84.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 220' ' ' LEU . 6.7 tt0 -67.9 -49.83 59.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.508 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -69.62 -41.34 75.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 165' ' ' ARG . . . -57.63 -47.73 86.39 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 166' ' ' ILE . 0.0 OUTLIER -56.33 -35.15 67.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.053 HD12 HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -76.52 -40.97 48.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -63.68 -21.04 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -2.47 15.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.477 HH21 HG23 ' A' ' 213' ' ' VAL . 0.2 OUTLIER -70.13 142.72 52.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 98.41 11.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.835 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.6 OUTLIER -80.48 133.86 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.616 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 46.63 23.67 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 93.74 -4.38 72.19 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.944 HD11 HD13 ' A' ' 194' ' ' LEU . 44.5 mm -121.31 130.55 74.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.888 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -36.18 140.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.053 HD13 HD12 ' A' ' 171' ' ' LEU . 0.4 OUTLIER -57.2 -46.34 82.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -56.35 -14.73 3.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.888 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 48.7 mm-40 -83.63 -41.95 17.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.922 ' O ' HD13 ' A' ' 145' ' ' LEU . 92.0 m95 -70.11 -11.91 61.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -95.32 16.73 60.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 88.2 m -147.12 163.17 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 2.6 m -106.41 137.45 44.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 86.45 5.75 81.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -81.85 -174.48 49.53 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.627 ' HB1' HD12 ' A' ' 179' ' ' ILE . . . -60.75 -40.53 92.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.75 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.943 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -55.28 -47.85 74.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 35.8 t -56.78 -39.04 73.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.5 -41.72 75.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.944 HD13 HD11 ' A' ' 179' ' ' ILE . 0.4 OUTLIER -58.46 -47.84 82.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.866 HG21 ' CD2' ' A' ' 131' ' ' LEU . 12.8 p -71.45 -24.48 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 4.8 tp -53.67 -43.59 68.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.2 -72.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 202' ' ' LEU . . . -93.15 136.36 33.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.695 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -108.73 -65.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.695 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.98 -37.89 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -73.78 -39.56 64.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.019 HD13 HG13 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -74.71 -49.62 20.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.798 ' O ' HG23 ' A' ' 207' ' ' THR . 4.6 ppt_? -61.09 -30.1 70.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.558 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -73.58 -50.39 21.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 201' ' ' GLU . 14.8 mt-10 -75.91 -39.72 55.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 1.019 HG13 HD13 ' A' ' 202' ' ' LEU . 16.7 mm -62.11 -35.57 69.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 203' ' ' ARG . 0.6 OUTLIER -61.14 -47.27 86.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -55.55 -34.68 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.835 ' NE2' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -75.93 -42.98 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.329 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.68 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.8 mt -60.57 -44.88 95.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -59.15 -34.6 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.607 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -37.96 71.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 176' ' ' ILE . 2.3 t -60.2 -42.32 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.5 tpt -63.55 -37.12 86.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 1.1 t -57.06 -45.89 82.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.01 -33.92 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.562 ' HA ' HD21 ' A' ' 220' ' ' LEU . 33.0 t -63.53 -34.45 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.488 ' O ' ' CG ' ' A' ' 222' ' ' GLN . . . -66.62 -25.12 66.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.97 -47.8 27.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.006 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.9 OUTLIER -72.72 -45.15 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.505 ' CD ' HG12 ' A' ' 217' ' ' VAL . 31.7 mtm180 -58.08 -50.68 72.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 218' ' ' ALA . 34.6 mt-30 -57.18 -32.68 66.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.45 -41.61 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 220' ' ' LEU . 3.9 t -69.29 -44.12 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -55.85 -35.44 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 49.4 m -65.19 -43.57 91.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -65.87 -36.43 83.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 224' ' ' VAL . 48.6 t -58.73 -36.69 61.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 5.6 p -72.54 -38.68 67.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -36.76 62.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.06 -58.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.984 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtt -68.07 -34.68 76.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 151' ' ' ALA . 4.0 m -59.5 -38.02 79.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.683 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.3 OUTLIER -59.66 -41.15 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.68 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.53 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -61.3 -37.94 94.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.987 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.3 OUTLIER -79.26 -25.51 42.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.06 -42.43 80.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.712 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 15.1 tttm -61.14 -35.03 75.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.652 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.7 t -54.72 -30.11 55.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -67.11 -37.49 83.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.855 HD12 ' CD1' ' A' ' 210' ' ' LEU . 3.6 mm? -58.37 -32.43 68.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.63 ' HB2' ' HG2' ' A' ' 214' ' ' MET . . . -61.32 -17.28 52.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 126' ' ' LEU . 9.3 t -128.45 29.17 5.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.724 HD22 ' CD1' ' A' ' 123' ' ' LEU . 5.3 tp -49.77 179.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -153.21 178.84 1.44 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.372 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.831 ' HD2' HG23 ' A' ' 127' ' ' THR . 18.1 Cg_endo -75.03 -47.24 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.554 1.818 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.492 ' H ' HG23 ' A' ' 127' ' ' THR . 1.6 mt-10 -72.81 -20.45 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.905 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -79.07 -58.12 3.05 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.015 HD22 HG21 ' A' ' 195' ' ' VAL . 2.3 tt -52.28 -21.09 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.35 -47.91 9.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 -45.13 4.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.905 ' N ' ' O ' ' A' ' 130' ' ' GLY . 4.9 mm-40 -60.25 -37.77 81.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.613 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 9.1 t60 -56.36 -49.25 74.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.602 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.3 t -57.62 -46.72 83.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -74.88 -44.47 48.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.714 ' HG ' ' HB3' ' A' ' 144' ' ' ALA . 2.0 mp -68.05 -10.15 51.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.86 4.36 18.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.02 -153.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -69.25 114.79 5.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 3.4 t0 84.9 -6.54 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 0.803 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.87 136.56 0.45 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.546 1.153 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.714 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.52 -43.65 96.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 148' ' ' LEU . 0.7 OUTLIER -69.09 -31.46 70.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.452 ' NH1' ' OG1' ' A' ' 186' ' ' THR . 0.0 OUTLIER -79.61 -35.97 38.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLY . 88.5 p -71.36 -31.16 67.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.981 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.24 -44.33 97.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.528 ' HA ' HD11 ' A' ' 172' ' ' LEU . 10.9 t -70.01 -46.16 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -65.87 -46.07 79.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.987 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -60.84 -34.49 74.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.641 HD12 HD12 ' A' ' 148' ' ' LEU . 11.0 mt -65.13 -49.29 70.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.95 81.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.64 -32.16 61.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.783 HG12 HG11 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -79.01 -35.9 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.551 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 77.7 mtp180 -53.82 -32.06 51.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -117.48 -8.25 11.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -100.28 -9.67 47.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.611 ' CB ' ' CB ' ' A' ' 164' ' ' SER . 44.6 p -89.08 133.84 34.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.985 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -83.51 7.7 16.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 161' ' ' VAL . 0.4 OUTLIER -128.72 118.48 47.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.02 -26.24 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -38.81 80.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.76 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.89 -45.27 93.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 156' ' ' ARG . 6.8 ttt85 -61.7 -44.6 96.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.15 -41.55 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.771 ' HB3' HD22 ' A' ' 220' ' ' LEU . 31.3 mt-30 -68.42 -48.4 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.551 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -68.22 -43.36 78.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.08 -49.0 79.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.546 1.153 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -34.93 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.033 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.13 -40.41 45.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -65.65 -21.02 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -109.35 -2.92 17.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 181' ' ' LEU . 2.9 ttt180 -68.39 143.72 55.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.01 94.6 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.852 ' HB ' ' CD1' ' A' ' 184' ' ' TRP . 1.1 mm -74.49 132.61 33.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.741 ' HA3' ' CD1' ' A' ' 206' ' ' ILE . . . 45.93 23.07 0.95 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 94.53 -3.67 68.8 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.852 HG21 ' N ' ' A' ' 191' ' ' ALA . 10.1 mm -118.95 127.47 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.288 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.891 ' HB3' ' HG2' ' A' ' 183' ' ' GLN . . . -35.88 141.42 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.033 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.6 OUTLIER -58.68 -48.71 80.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -15.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.891 ' HG2' ' HB3' ' A' ' 180' ' ' ALA . 82.0 mm-40 -83.55 -40.74 18.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.869 ' CZ2' HD12 ' A' ' 206' ' ' ILE . 95.1 m95 -69.82 -9.7 55.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -110.61 19.96 25.56 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.442 1.089 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.452 ' OG1' ' NH1' ' A' ' 146' ' ' ARG . 1.0 OUTLIER -136.33 142.04 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.425 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 1.1 m -91.39 115.85 28.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 101.47 19.5 15.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -90.64 -164.32 39.58 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.57 ' CB ' HD12 ' A' ' 179' ' ' ILE . . . -78.41 -37.02 44.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.852 ' N ' HG21 ' A' ' 179' ' ' ILE . . . -54.86 -43.68 73.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 23.1 t -56.7 -43.02 80.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -69.4 -37.57 77.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.723 HD23 HD11 ' A' ' 202' ' ' LEU . 2.5 tp -57.89 -48.79 78.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.015 HG21 HD22 ' A' ' 131' ' ' LEU . 7.1 p -69.46 -24.98 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.97 -41.79 78.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -70.54 -70.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.624 ' HB3' ' CG ' ' A' ' 202' ' ' LEU . . . -91.28 139.34 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.684 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.6 OUTLIER -111.84 -65.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.972 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.684 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -74.99 -38.12 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.539 1.81 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 205' ' ' GLU . 0.0 OUTLIER -74.64 -39.15 62.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.871 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -73.55 -47.7 38.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.721 ' O ' ' OG1' ' A' ' 207' ' ' THR . 5.6 ppt_? -61.86 -36.96 82.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.481 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 2.1 mmp_? -73.33 -46.69 47.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 201' ' ' GLU . 5.3 tp10 -69.82 -52.02 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.871 ' CG1' HD13 ' A' ' 202' ' ' LEU . 12.6 mm -58.52 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.721 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 19.6 m -61.75 -46.37 89.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.376 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.13 -40.46 77.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.568 ' CD ' ' C ' ' A' ' 209' ' ' GLN . 0.0 OUTLIER -73.61 -40.24 63.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 123' ' ' LEU . 5.2 mt -60.5 -44.06 96.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -56.84 -41.44 77.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.575 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -32.54 64.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.353 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.837 HG22 HD11 ' A' ' 171' ' ' LEU . 0.5 OUTLIER -66.56 -43.41 90.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.63 ' HG2' ' HB2' ' A' ' 124' ' ' ALA . 10.2 tpt -63.38 -36.37 83.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 10.4 t -56.7 -43.43 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' ' 220' ' ' LEU . 1.1 tp10 -70.53 -34.13 71.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.813 HG12 ' HD2' ' A' ' 221' ' ' ARG . 69.7 t -61.07 -40.17 84.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -58.57 -40.53 83.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -40.89 89.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.056 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.94 -46.84 56.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.813 ' HD2' HG12 ' A' ' 217' ' ' VAL . 63.6 mtp180 -58.29 -47.23 84.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -64.63 -32.84 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -72.67 -41.75 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.056 HG23 ' O ' ' A' ' 220' ' ' LEU . 5.6 t -74.99 -46.73 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.683 ' HB2' HD21 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -56.24 -38.81 71.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.36 -49.27 76.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.985 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -65.27 -41.97 93.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 1.001 ' O ' HG13 ' A' ' 231' ' ' VAL . 15.5 t -59.76 -26.06 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . 0.42 ' C ' ' CG2' ' A' ' 231' ' ' VAL . 16.3 mtt-85 -91.54 -33.34 15.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 1.001 HG13 ' O ' ' A' ' 228' ' ' VAL . 1.6 m 40.78 90.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 2.5 tpt -59.67 -36.44 76.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 151' ' ' ALA . 1.4 m -62.23 -44.62 96.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mt -56.17 -37.89 70.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -34.48 77.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.432 ' O ' ' OG ' ' A' ' 147' ' ' SER . . . -61.44 -45.71 95.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 1.109 HD11 HD22 ' A' ' 152' ' ' LEU . 6.0 mt -80.19 -21.46 42.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.99 -42.29 72.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -72.56 -32.92 66.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.484 ' HB2' ' CB ' ' A' ' 148' ' ' LEU . . . -55.09 -24.37 25.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 124' ' ' ALA . 32.8 t -54.7 -29.55 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.599 ' O ' HG22 ' A' ' 125' ' ' THR . 0.6 OUTLIER -59.37 -33.29 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.704 ' HB3' HD13 ' A' ' 210' ' ' LEU . 2.6 mm? -58.47 -23.34 57.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 121' ' ' SER . . . -64.05 -18.93 64.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 122' ' ' GLU . 9.3 t -121.92 24.72 9.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.786 HD21 ' HG ' ' A' ' 131' ' ' LEU . 57.9 tp -48.73 163.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.64 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -133.3 175.55 3.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.64 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -74.98 -45.63 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -33.21 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.711 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -76.71 -27.05 61.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.786 ' HG ' HD21 ' A' ' 126' ' ' LEU . 0.2 OUTLIER -56.38 -44.47 80.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.316 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.94 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -58.53 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.711 ' N ' ' O ' ' A' ' 130' ' ' GLY . 0.5 OUTLIER -61.13 -14.03 21.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.354 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.764 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.38 -52.03 66.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.1 t -68.37 -39.66 81.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -72.35 -44.56 62.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.706 HD11 ' OE1' ' A' ' 134' ' ' GLU . 1.7 mt -74.0 -14.75 61.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.565 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -110.78 4.05 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.21 -164.36 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -60.94 113.78 5.96 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 0.8 OUTLIER 82.37 -0.58 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -31.98 145.41 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 138' ' ' LEU . . . -68.77 -47.43 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 0.791 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.834 HD13 ' O ' ' A' ' 184' ' ' TRP . 0.5 OUTLIER -70.83 -31.62 68.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -35.01 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLY . 31.0 t -69.21 -34.1 74.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 145' ' ' LEU . 0.3 OUTLIER -61.49 -45.7 93.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.479 ' N ' ' HG ' ' A' ' 148' ' ' LEU . 2.0 t -66.17 -41.45 90.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.67 -45.88 84.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB3' ' HG ' ' A' ' 117' ' ' LEU . . . -65.71 -33.95 77.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 1.109 HD22 HD11 ' A' ' 117' ' ' LEU . 1.3 mm? -58.45 -52.05 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.11 96.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -56.35 -31.07 59.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.76 HG12 HG21 ' A' ' 224' ' ' VAL . 1.9 mt -79.66 -42.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.529 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 75.5 mtp180 -50.87 -29.23 11.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -118.81 -9.14 10.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.085 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.61 -36.3 8.73 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.839 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.4 OUTLIER -86.28 134.61 33.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.019 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.92 9.93 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.635 HG12 ' H ' ' A' ' 163' ' ' GLU . 66.3 t -109.52 136.86 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.63 -29.78 70.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.635 ' H ' HG12 ' A' ' 161' ' ' VAL . 3.7 tt0 -59.67 -40.84 89.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.679 ' OG ' HG22 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -59.9 -44.75 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -66.81 -46.05 76.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -41.89 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -68.26 -46.29 70.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.547 ' HA ' ' CD1' ' A' ' 152' ' ' LEU . . . -69.52 -46.53 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.67 -47.57 87.57 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.445 1.091 . . . . 0.0 111.013 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.95 -35.11 66.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 0.851 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -77.61 -41.85 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 152' ' ' LEU . 0.0 OUTLIER -64.4 -21.26 66.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.08 -7.39 16.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.495 ' HG2' ' CD1' ' A' ' 176' ' ' ILE . 5.0 ttt85 -64.05 146.53 53.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 98.94 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.041 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.777 HG23 ' NE2' ' A' ' 209' ' ' GLN . 0.5 OUTLIER -84.29 138.15 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.617 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 48.06 21.16 1.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.33 69.73 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -123.2 136.27 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.721 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -36.96 142.19 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.851 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -60.18 -46.96 87.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -53.61 -15.17 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.747 ' HB2' HG23 ' A' ' 179' ' ' ILE . 32.3 mm-40 -83.89 -39.87 19.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.834 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -70.44 -7.39 42.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -100.71 16.69 57.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.5 HG22 ' N ' ' A' ' 187' ' ' THR . 21.5 m -146.48 170.55 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 0.761 . . . . 0.0 110.428 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.5 ' N ' HG22 ' A' ' 186' ' ' THR . 9.9 t -115.44 141.68 47.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.72 78.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.79 -178.79 49.13 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.625 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -60.66 -35.76 77.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -55.4 -48.45 74.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.2 t -58.1 -41.37 83.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.042 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -69.09 -38.73 79.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.922 HD13 HD13 ' A' ' 179' ' ' ILE . 0.6 OUTLIER -62.01 -48.09 81.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.58 ' CG2' HD13 ' A' ' 131' ' ' LEU . 11.6 p -68.91 -26.01 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 2.7 tp -54.75 -41.35 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.76 -72.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.619 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -90.48 133.52 34.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.667 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.92 -64.39 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.667 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.5 Cg_endo -74.94 -39.65 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.518 1.799 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -41.08 66.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.126 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -71.88 -44.48 63.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.665 ' O ' ' CB ' ' A' ' 207' ' ' THR . 0.0 OUTLIER -59.16 -50.88 72.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 208' ' ' ASP . 6.9 mmm180 -57.06 -47.27 81.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.42 -51.53 14.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 1.126 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.7 mm -58.2 -42.62 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.665 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 92.0 m -64.39 -47.18 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 204' ' ' ARG . 10.3 t0 -58.23 -36.93 73.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.917 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.12 -38.95 66.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 123' ' ' LEU . 1.4 mt -59.57 -44.99 93.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -59.46 -38.77 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.589 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -35.73 64.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 171' ' ' LEU . 2.8 t -64.16 -35.1 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 218' ' ' ALA . 1.2 mmt -70.24 -35.03 73.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 15.4 t -56.77 -47.16 80.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.15 -34.71 73.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.598 ' HA ' HD23 ' A' ' 220' ' ' LEU . 5.3 t -71.72 -32.74 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . 0.584 ' HA ' ' CG ' ' A' ' 221' ' ' ARG . . . -60.67 -35.17 75.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.3 -33.64 61.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.813 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -71.49 -50.14 34.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.584 ' CG ' ' HA ' ' A' ' 218' ' ' ALA . 0.0 OUTLIER -62.56 -50.62 70.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 218' ' ' ALA . 29.7 mt-30 -55.54 -32.59 63.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -69.61 -38.18 77.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 0.839 HG13 ' OG ' ' A' ' 159' ' ' SER . 14.4 t -72.19 -40.74 66.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -45.76 78.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -38.95 78.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -60.25 -48.23 82.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 224' ' ' VAL . 37.9 t -59.35 -39.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 39.1 m -59.88 -28.3 67.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 -82.08 -34.73 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 73.2 t -43.86 -36.63 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.06 179.979 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.0 mtp -64.42 -34.96 79.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 151' ' ' ALA . 3.3 m -59.45 -42.33 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 225' ' ' GLU . 0.1 OUTLIER -56.69 -39.29 73.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -36.84 85.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 151' ' ' ALA . . . -60.5 -38.6 95.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.947 HD22 ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -79.22 -23.56 43.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -46.86 87.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -24.77 66.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 117' ' ' LEU . . . -67.97 -25.7 65.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.4 t -55.81 -30.19 60.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.527 ' O ' HG22 ' A' ' 125' ' ' THR . 1.2 mt-10 -69.48 -34.49 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.812 ' HB3' HD13 ' A' ' 210' ' ' LEU . 33.5 mt -58.56 -23.41 58.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 211' ' ' HIS . . . -64.63 -19.07 65.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 122' ' ' GLU . 10.1 t -123.37 37.98 4.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.718 ' O ' HG21 ' A' ' 207' ' ' THR . 29.9 tp -70.88 149.0 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -114.28 -179.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.388 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.648 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.4 Cg_endo -75.01 -44.62 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.05 -35.41 69.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.781 ' O ' ' HB2' ' A' ' 134' ' ' GLU . . . -76.23 -28.12 60.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.062 HD22 HG21 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -54.29 -43.86 71.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.72 -48.58 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.9 -61.25 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.823 ' HB3' HD22 ' A' ' 138' ' ' LEU . 4.0 mt-10 -60.06 -14.58 17.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.747 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 0.2 OUTLIER -60.19 -52.23 66.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.8 t -71.32 -36.31 71.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -44.74 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 134' ' ' GLU . 1.4 mp -77.45 -8.64 58.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -112.37 3.62 17.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.26 -159.23 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -61.32 114.78 7.04 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 1.1 t0 77.26 4.46 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.27 142.97 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.553 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -66.42 -48.15 70.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 148' ' ' LEU . 1.3 mt -69.72 -31.96 70.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -77.54 -38.57 48.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 151' ' ' ALA . 11.0 t -72.55 -26.67 61.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 1.012 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -61.82 -46.05 91.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.568 ' HA ' HD11 ' A' ' 172' ' ' LEU . 11.8 t -71.45 -44.17 65.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -47.4 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.4 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.947 ' HB1' HD22 ' A' ' 117' ' ' LEU . . . -59.53 -44.84 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.766 HD22 ' CB ' ' A' ' 168' ' ' ALA . 6.5 mt -56.35 -49.33 74.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -57.54 -43.16 84.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -57.6 -31.08 63.09 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.891 HG21 HD12 ' A' ' 220' ' ' LEU . 0.1 OUTLIER -78.14 -41.78 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -51.39 -30.11 17.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -106.1 -32.9 8.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -87.31 14.12 58.42 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 155' ' ' ILE . 15.9 p -99.63 119.46 38.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 0.725 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -71.83 -3.5 22.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 163' ' ' GLU . 21.5 t -127.58 136.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 165' ' ' ARG . 0.7 OUTLIER -65.41 -26.64 68.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.609 ' H ' HG12 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.76 -34.33 77.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.26 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.709 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.6 OUTLIER -64.68 -45.07 88.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 162' ' ' GLU . 16.0 ptm180 -70.79 -35.59 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 1.2 mp -62.0 -42.15 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.665 ' HB3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -69.27 -48.65 61.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.324 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.766 ' CB ' HD22 ' A' ' 152' ' ' LEU . . . -64.51 -44.37 91.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.55 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 174' ' ' ARG . 0.1 OUTLIER -57.36 -34.9 69.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.078 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.0 OUTLIER -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.568 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -62.91 -22.81 67.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.93 -6.45 15.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HB3' HD13 ' A' ' 171' ' ' LEU . 0.7 OUTLIER -64.68 141.03 58.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.88 114.83 21.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.836 HD11 ' CG2' ' A' ' 213' ' ' VAL . 14.0 mm -106.16 139.17 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.685 ' O ' HD23 ' A' ' 194' ' ' LEU . . . 46.37 23.25 1.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 179' ' ' ILE . . . 93.58 -5.01 73.51 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.94 HD13 HD22 ' A' ' 194' ' ' LEU . 1.0 OUTLIER -125.87 143.45 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.824 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -43.09 139.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.078 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.4 OUTLIER -58.41 -47.41 83.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -15.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.824 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 10.7 mm-40 -83.85 -40.36 18.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.901 ' O ' HD13 ' A' ' 145' ' ' LEU . 95.1 m95 -66.59 -10.6 47.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -97.45 19.2 55.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 187' ' ' THR . 32.8 m -151.43 170.91 18.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . 0.499 ' N ' HG22 ' A' ' 186' ' ' THR . 25.4 m -114.69 151.2 34.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 78.88 6.39 88.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -87.34 179.76 48.1 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' HG12 ' A' ' 179' ' ' ILE . . . -60.55 -38.33 84.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.94 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.32 -48.78 70.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 195' ' ' VAL . 0.5 OUTLIER -59.18 -40.02 84.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -70.09 -39.2 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.94 HD22 HD13 ' A' ' 179' ' ' ILE . 1.1 tp -63.74 -47.64 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.062 HG21 HD22 ' A' ' 131' ' ' LEU . 14.4 p -67.43 -27.13 37.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 196' ' ' LEU . 1.3 tm? -55.76 -41.35 73.86 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -68.82 -72.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 1.039 ' HB3' HD22 ' A' ' 202' ' ' LEU . . . -86.86 127.48 35.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.722 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -104.99 -66.99 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.722 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.2 Cg_endo -75.01 -38.25 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -47.43 75.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.039 HD22 ' HB3' ' A' ' 198' ' ' ALA . 0.1 OUTLIER -68.84 -37.17 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.814 ' O ' ' OG1' ' A' ' 207' ' ' THR . 0.0 OUTLIER -58.96 -31.33 68.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 203' ' ' ARG . 5.1 mmm180 -79.02 -48.75 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.33 -53.12 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 0.774 HG23 ' NE2' ' A' ' 209' ' ' GLN . 2.9 mm -54.23 -48.42 66.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.814 ' OG1' ' O ' ' A' ' 203' ' ' ARG . 26.8 m -62.75 -46.24 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.84 -38.8 73.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.774 ' NE2' HG23 ' A' ' 206' ' ' ILE . 0.0 OUTLIER -73.84 -38.68 64.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.812 HD13 ' HB3' ' A' ' 123' ' ' LEU . 5.2 mt -60.42 -45.59 93.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 124' ' ' ALA . 20.8 t-160 -59.4 -35.07 73.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.567 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -73.95 -33.14 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 1.029 ' O ' HG23 ' A' ' 217' ' ' VAL . 2.5 t -62.93 -44.42 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 10.4 tpt -63.29 -35.03 79.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 7.7 t -56.62 -47.73 79.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.64 69.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 1.029 HG23 ' O ' ' A' ' 213' ' ' VAL . 47.5 t -65.72 -38.69 82.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.82 86.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 219' ' ' LEU . 0.4 OUTLIER -60.77 -35.18 75.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.051 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.97 -45.1 59.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 217' ' ' VAL . 6.2 mtp-105 -58.41 -51.06 71.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.7 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 220' ' ' LEU . 13.0 t -74.42 -45.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 114' ' ' LEU . 3.9 tt0 -55.94 -41.98 75.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 1.6 m -57.2 -39.67 75.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -73.55 -36.2 65.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 224' ' ' VAL . 46.3 t -59.49 -33.34 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -38.73 74.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -35.89 76.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 76.6 t -48.44 -41.9 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.99 -35.88 79.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.8 m -59.8 -34.04 72.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -37.74 83.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.93 93.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -60.87 -35.02 89.54 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.842 HD22 ' CB ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -79.1 -33.78 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -59.27 -30.72 68.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' HG2' ' HB2' ' A' ' 144' ' ' ALA . 2.1 tttp -60.62 -36.87 79.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.372 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.648 ' HB2' ' HB2' ' A' ' 148' ' ' LEU . . . -54.88 -25.52 29.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 m -55.54 -30.61 61.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -73.04 -31.57 64.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.905 HD12 ' CD1' ' A' ' 210' ' ' LEU . 0.3 OUTLIER -59.84 -38.55 82.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.39 55.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.4 p -108.98 14.0 24.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.568 HD21 ' HG ' ' A' ' 131' ' ' LEU . 20.3 tp -48.98 171.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.695 HG22 ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -143.06 178.17 1.57 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.695 ' CD ' HG22 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.0 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -26.37 60.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.939 ' O ' ' N ' ' A' ' 134' ' ' GLU . . . -78.39 -41.84 15.91 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 203' ' ' ARG . 0.0 OUTLIER -53.1 -29.92 33.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -86.17 -33.79 20.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -106.34 -56.62 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.939 ' N ' ' O ' ' A' ' 130' ' ' GLY . 6.2 mt-10 -51.99 -36.74 50.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.612 ' CB ' ' O ' ' A' ' 131' ' ' LEU . 3.2 t60 -56.97 -49.07 76.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.567 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.3 t -58.87 -46.12 88.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.2 mtt-85 -73.76 -44.91 54.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.626 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.2 mp -69.28 -9.92 55.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 135' ' ' HIS . . . -111.93 0.91 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.6 t -91.59 -148.63 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.527 ' O ' ' CB ' ' A' ' 142' ' ' ASP . . . -74.23 115.66 4.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 141' ' ' GLY . 4.9 t0 83.86 -8.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 147' ' ' SER . . . -35.29 137.33 0.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 138' ' ' LEU . . . -60.4 -42.01 95.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.932 HD13 ' O ' ' A' ' 184' ' ' TRP . 1.7 mt -69.22 -33.01 72.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 21.0 ttt85 -79.75 -33.84 40.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' GLY . 0.9 OUTLIER -73.51 -27.55 61.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.908 HD23 HD23 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -63.34 -46.23 87.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 172' ' ' LEU . 35.9 t -71.56 -42.88 67.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 1.1 m -67.22 -46.19 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.842 ' CB ' HD22 ' A' ' 117' ' ' LEU . . . -59.06 -35.34 73.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 168' ' ' ALA . 19.4 mt -65.25 -50.53 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -56.97 -40.53 76.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 158' ' ' GLY . . . -62.48 -31.16 78.65 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.844 HG12 HG21 ' A' ' 224' ' ' VAL . 0.1 OUTLIER -78.44 -38.31 22.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.74 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.603 ' HG2' ' HB3' ' A' ' 168' ' ' ALA . 45.5 mtp180 -52.56 -31.57 36.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -119.25 -3.69 10.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 154' ' ' GLY . . . -92.83 -29.2 10.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.885 ' OG ' HG13 ' A' ' 224' ' ' VAL . 0.6 OUTLIER -89.51 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 0.813 . . . . 0.0 110.038 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.408 HE22 HG22 ' A' ' 231' ' ' VAL . 26.9 mt-30 -90.91 30.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.611 HG12 ' H ' ' A' ' 163' ' ' GLU . 46.6 t -138.21 133.17 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . 0.507 ' HA ' ' HG2' ' A' ' 165' ' ' ARG . 16.7 pt-20 -64.57 -26.95 68.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . 0.611 ' H ' HG12 ' A' ' 161' ' ' VAL . 8.5 mt-10 -63.85 -36.15 82.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . 0.755 ' HA ' HD21 ' A' ' 220' ' ' LEU . 0.9 OUTLIER -63.19 -45.64 90.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . 0.507 ' HG2' ' HA ' ' A' ' 162' ' ' GLU . 10.7 ptm180 -71.96 -36.16 69.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 165' ' ' ARG . 0.8 OUTLIER -64.48 -43.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.568 ' CD ' HD23 ' A' ' 220' ' ' LEU . 3.4 tt0 -70.49 -48.74 54.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 156' ' ' ARG . . . -64.23 -44.42 91.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . -58.19 -50.32 67.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 174' ' ' ARG . 2.0 ttm180 -57.21 -35.91 70.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . 1.076 ' CD1' HD13 ' A' ' 181' ' ' LEU . 0.8 OUTLIER -76.08 -39.85 54.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 149' ' ' SER . 0.0 OUTLIER -60.83 -21.04 62.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.68 -3.83 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 170' ' ' ARG . 5.9 ttt180 -64.5 143.29 58.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.3 128.01 33.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.844 HG23 ' CD ' ' A' ' 209' ' ' GLN . 34.1 mm -124.4 139.26 51.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' GLY . . . . . 0.683 ' CA ' HD12 ' A' ' 206' ' ' ILE . . . 45.64 20.89 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 176' ' ' ILE . . . 95.09 -3.5 66.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . 0.939 HG21 ' HB2' ' A' ' 191' ' ' ALA . 0.8 OUTLIER -126.91 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.815 ' HB3' ' CG ' ' A' ' 183' ' ' GLN . . . -48.86 141.33 7.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 1.076 HD13 ' CD1' ' A' ' 171' ' ' LEU . 0.2 OUTLIER -58.88 -49.24 78.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -15.02 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' GLN . . . . . 0.815 ' CG ' ' HB3' ' A' ' 180' ' ' ALA . 43.6 mm-40 -83.43 -40.17 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.932 ' O ' HD13 ' A' ' 145' ' ' LEU . 96.0 m95 -68.75 -8.87 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.034 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' GLY . . . . . . . . . . . . . . . -105.28 17.11 44.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 1.6 t -142.65 157.95 44.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 0.732 . . . . 0.0 110.427 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.3 130.33 55.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 99.53 6.74 54.74 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' GLY . . . . . . . . . . . . . . . -86.0 -164.48 39.39 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.606 ' HB3' HG12 ' A' ' 179' ' ' ILE . . . -78.02 -36.87 48.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' ALA . . . . . 0.939 ' HB2' HG21 ' A' ' 179' ' ' ILE . . . -54.88 -48.53 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 195' ' ' VAL . 6.7 t -56.9 -44.15 82.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.83 -38.16 79.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.987 HD23 HD11 ' A' ' 202' ' ' LEU . 0.9 OUTLIER -59.01 -48.27 82.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.619 ' CG2' HD13 ' A' ' 131' ' ' LEU . 7.6 p -66.88 -26.69 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.88 -43.19 72.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -69.3 -72.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.608 ' CB ' ' HB2' ' A' ' 202' ' ' LEU . . . -88.66 133.25 34.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . 0.679 ' CB ' ' HD3' ' A' ' 200' ' ' PRO . 0.5 OUTLIER -109.14 -65.03 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.035 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 200' ' ' PRO . . . . . 0.679 ' HD3' ' CB ' ' A' ' 199' ' ' SER . 18.3 Cg_endo -75.03 -39.62 1.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.75 -41.2 68.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 1.118 HD13 ' CG1' ' A' ' 206' ' ' ILE . 0.1 OUTLIER -72.82 -44.19 61.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 203' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -59.42 -51.79 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 -180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 203' ' ' ARG . 3.0 mtp180 -57.8 -46.26 84.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 205' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -73.33 -52.59 13.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 206' ' ' ILE . . . . . 1.118 ' CG1' HD13 ' A' ' 202' ' ' LEU . 1.6 mm -59.61 -44.44 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 207' ' ' THR . . . . . 0.717 ' CB ' ' O ' ' A' ' 203' ' ' ARG . 99.4 m -61.5 -46.2 91.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 208' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -39.09 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 209' ' ' GLN . . . . . 0.844 ' CD ' HG23 ' A' ' 176' ' ' ILE . 0.0 OUTLIER -74.17 -38.94 63.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 123' ' ' LEU . 4.1 mt -58.55 -44.37 89.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 211' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -58.18 -40.83 82.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.29 -32.27 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . 0.82 ' O ' HG23 ' A' ' 217' ' ' VAL . 5.7 t -63.79 -42.01 94.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.46 -33.38 75.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . . . . . . . . . 9.5 t -56.96 -45.69 82.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 216' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.72 -34.19 71.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 213' ' ' VAL . 60.1 t -66.38 -40.69 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.07 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 219' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.96 -38.55 82.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 1.043 ' O ' HG23 ' A' ' 224' ' ' VAL . 0.2 OUTLIER -72.98 -44.38 61.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.502 ' CD ' ' HB3' ' A' ' 117' ' ' LEU . 15.5 mtm105 -58.17 -51.24 70.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 222' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.38 -33.86 71.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 223' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 227' ' ' GLU . . . -73.14 -42.42 62.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 224' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 220' ' ' LEU . 14.5 t -72.02 -42.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 225' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.34 -43.28 78.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 226' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -42.56 78.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.555 ' OE1' HG23 ' A' ' 161' ' ' VAL . 27.2 mt-10 -69.88 -35.04 74.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 228' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 224' ' ' VAL . 87.3 t -58.41 -41.54 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 27.2 p -72.57 -34.79 67.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 230' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -63.42 -35.73 81.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 227' ' ' GLU . 27.5 t -47.18 -48.07 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 232' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 179.98 . . . . . . . . 1 1 . 1 stop_ save_