data_2imu_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 2imu _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 ' 3' ' ' PHE . . . . . 0.477 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.164 0.507 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.73 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.697 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.697 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.59 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.55 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.537 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.55 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.643 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.547 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.55 ' HA ' HG21 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.643 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.624 ' HA ' ' HG1' ' A' ' 20' ' ' THR . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 14' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.574 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.914 0.388 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.653 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.653 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.538 ' HA ' ' HG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.766 HG21 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.504 ' H ' ' HG ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.538 ' HG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.579 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.609 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.609 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.591 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' HG21 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.591 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.552 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 ' H ' HG21 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 14' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.455 ' HG ' ' H ' ' A' ' 19' ' ' SER . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HG3' ' HZ3' ' A' ' 4' ' ' LYS . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 HD11 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.43 HG22 HD13 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.859 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.859 HG23 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.439 HG13 HD13 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG21 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 HD13 HG13 ' A' ' 17' ' ' VAL . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 . . . . . 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.617 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.734 ' O ' HG21 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.734 HG21 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.571 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.762 HG11 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' HD2' HG11 ' A' ' 18' ' ' VAL . 18.3 m-30 . . . . . 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.039 0.447 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.69 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.763 ' O ' HG21 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.69 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.651 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG13 HD13 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 14' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD13 HG13 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 1.1 m-85 . . . . . 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.413 ' HA ' HG13 ' A' ' 6' ' ' ILE . 22.5 m-85 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.008 0.433 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.739 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.591 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.537 ' HB ' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.896 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' HG21 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.896 HG23 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.4 m-85 . . . . . 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.7 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.044 0.45 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.555 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.642 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.673 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.614 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 4.0 m-85 . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HD3' ' N ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.509 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HG21 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.624 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' HG ' ' HA ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.551 HD12 HG13 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.628 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CG ' HG11 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 120.709 0.29 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.529 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.653 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HA ' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.653 HG23 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG21 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.514 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 21.9 m-85 . . . . . 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.56 -83.38 0.3 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.477 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 -56.81 -56.57 19.86 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -1.144 . . . . 0.0 109.889 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.73 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.697 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.697 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.59 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG21 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.638 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 33.1 m-85 -93.25 109.96 43.42 Favored Pre-proline 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.695 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.59 -28.84 87.31 Favored 'Trans proline' 0 C--N 1.296 -2.206 0 O-C-N 124.247 1.656 . . . . 0.0 113.107 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.695 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.8 Cg_endo -81.96 -29.52 1.64 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 CA-C-N 119.015 0.684 . . . . 0.0 110.677 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.74 62.67 7.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.947 -1.095 . . . . 0.0 110.331 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.819 ' HB1' ' HD3' ' A' ' 27' ' ' PRO . . . -171.42 -61.64 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.814 . . . . 0.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.819 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 39.4 Cg_endo -66.82 -28.4 43.2 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.275 1.145 . . . . 0.0 110.378 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.36 -44.11 88.7 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.643 -1.223 . . . . 0.0 108.461 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.35 -36.24 66.09 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -54.68 -50.52 68.05 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.863 0.839 . . . . 0.0 109.206 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.97 -29.1 68.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -88.66 -30.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.026 -1.047 . . . . 0.0 110.244 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.02 -36.18 11.54 Favored Glycine 0 N--CA 1.482 1.763 0 C-N-CA 119.356 -1.402 . . . . 0.0 109.826 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.78 -31.11 6.84 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.066 -1.255 . . . . 0.0 110.781 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 31' ' ' ALA . . . -54.88 -45.63 79.55 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.628 -1.789 . . . . 0.0 108.628 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 37' ' ' ASP . 22.1 m -56.8 -43.7 80.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.201 -1.176 . . . . 0.0 109.431 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' N ' HG21 ' A' ' 36' ' ' VAL . 2.1 t70 -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.51 -39.13 72.78 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.87 -30.32 28.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.105 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.73 -37.35 35.78 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 110.171 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.55 117.11 1.49 Allowed Glycine 0 C--N 1.295 -1.747 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.61 24.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -1.182 . . . . 0.0 111.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.3 mp0 -95.32 9.99 37.85 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.961 -1.087 . . . . 0.0 109.675 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 43' ' ' GLU . . . 57.9 -142.51 0.7 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.433 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -126.9 110.22 12.8 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.637 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.48 81.4 0.07 OUTLIER Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.665 -1.774 . . . . 0.0 108.665 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 -52.51 -41.77 63.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.344 -1.092 . . . . 0.0 109.711 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.55 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.643 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.547 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.55 ' HA ' HG21 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.643 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.583 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.624 ' HA ' ' HG1' ' A' ' 20' ' ' THR . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.828 HG13 ' CB ' ' A' ' 25' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.49 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.624 ' HG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' N ' HD13 ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.734 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -128.61 128.53 23.54 Favored Pre-proline 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.643 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 36.9 Cg_endo -63.32 -28.34 72.03 Favored 'Trans proline' 0 C--N 1.292 -2.396 0 O-C-N 124.478 1.778 . . . . 0.0 113.159 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.734 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 40.7 Cg_endo -71.01 -25.83 22.38 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 N-CA-C 109.709 -0.92 . . . . 0.0 109.709 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.828 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -97.04 -16.35 20.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.218 -0.926 . . . . 0.0 109.396 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.663 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.15 -43.89 46.78 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 0.0 111.33 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.3 Cg_endo -63.38 -23.06 71.75 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 122.786 0.888 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.824 HD13 ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -66.93 -44.43 80.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.569 -1.332 . . . . 0.0 108.139 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -53.24 -35.88 60.47 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.48 73.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.773 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.542 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -67.15 -12.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.28 -0.888 . . . . 0.0 109.941 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.532 ' O ' HG13 ' A' ' 36' ' ' VAL . . . 116.95 -22.09 10.75 Favored Glycine 0 N--CA 1.479 1.546 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' CD ' ' HB2' ' A' ' 29' ' ' ALA . 9.3 mt-10 -57.0 -25.1 57.86 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.19 -1.182 . . . . 0.0 109.728 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.59 -48.42 68.09 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -68.51 -41.56 83.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.076 -1.25 . . . . 0.0 108.3 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -58.84 -41.33 86.68 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.56 -47.28 84.54 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.217 -0.993 . . . . 0.0 108.604 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.92 -35.99 80.01 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.714 . . . . 0.0 109.843 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 3.6 mp -96.94 14.52 25.16 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.234 -0.916 . . . . 0.0 110.175 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 -26.57 28.34 Favored Glycine 0 N--CA 1.482 1.72 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.4 18.01 11.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.938 -1.331 . . . . 0.0 111.052 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -89.61 82.8 6.3 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.917 -1.115 . . . . 0.0 109.388 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 45' ' ' GLN . . . -146.47 155.45 42.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.228 -0.92 . . . . 0.0 109.056 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 7.8 mt-30 62.0 69.78 0.61 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.477 ' HE2' ' HB2' ' A' ' 4' ' ' LYS . 3.3 t80 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.54 0.79 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 -43.82 -34.22 1.53 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.67 -0.9 . . . . 0.0 110.427 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HB2' ' HE2' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 HD13 HG22 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.653 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.653 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.57 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' HA ' ' HG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.766 HG21 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.504 ' H ' ' HG ' ' A' ' 19' ' ' SER . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.538 ' HG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.672 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -99.42 107.54 45.68 Favored Pre-proline 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.55 -24.16 75.11 Favored 'Trans proline' 0 C--N 1.296 -2.205 0 O-C-N 124.303 1.686 . . . . 0.0 112.687 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.672 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.0 Cg_endo -83.32 -29.93 1.01 Allowed 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -86.37 -32.78 20.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.197 -0.939 . . . . 0.0 109.584 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.656 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.3 -47.48 67.48 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.65 -0.656 . . . . 0.0 112.211 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -68.48 -52.06 0.48 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.018 1.009 . . . . 0.0 111.324 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD13 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -68.87 -32.89 72.88 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.706 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.609 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -55.55 -37.44 67.99 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CE1' ' HA3' ' A' ' 35' ' ' GLY . 34.3 t60 -60.95 -49.28 78.09 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.07 88.75 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 110.176 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -30.47 47.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.402 -0.811 . . . . 0.0 109.916 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.85 30.41 8.99 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 41.12 39.27 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.803 -0.822 . . . . 0.0 110.742 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' HIS . . . -60.18 -55.67 28.88 Favored Glycine 0 N--CA 1.481 1.7 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 39' ' ' LEU . 4.3 p -60.84 -38.8 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.983 -1.304 . . . . 0.0 108.716 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.96 -40.37 93.08 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.116 -0.99 . . . . 0.0 109.153 179.509 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -42.67 86.18 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 111.028 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 1.007 HD11 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -81.65 -16.58 50.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 110.39 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 1.007 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.99 -65.47 0.99 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.556 -1.34 . . . . 0.0 109.342 178.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.44 30.65 71.16 Favored Glycine 0 N--CA 1.482 1.762 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.599 ' HB2' HD13 ' A' ' 40' ' ' LEU . 28.1 t70 -110.09 39.27 2.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.376 -1.073 . . . . 0.0 108.657 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -115.63 155.32 27.86 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.358 -0.839 . . . . 0.0 109.661 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.64 168.4 18.92 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.113 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.98 28.02 8.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.414 -0.803 . . . . 0.0 109.374 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 CA-C-O 117.076 -1.44 . . . . 0.0 108.02 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.05 109.73 0.23 Allowed Glycine 0 N--CA 1.48 1.612 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.579 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 -47.31 -45.53 24.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.65 -0.912 . . . . 0.0 110.029 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.609 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.556 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.609 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.591 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HA ' HG21 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.591 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.552 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.617 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.617 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 ' H ' HG21 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG13 ' CB ' ' A' ' 25' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.489 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD23 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.46 132.18 5.32 Favored Pre-proline 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.652 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 37.3 Cg_endo -63.5 -28.87 70.66 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 O-C-N 124.351 1.711 . . . . 0.0 113.878 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.7 Cg_endo -75.34 -28.54 8.55 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 CA-C-N 119.169 0.739 . . . . 0.0 110.588 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.721 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -97.9 -20.5 17.43 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 110.152 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.665 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.21 -45.44 94.19 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.312 -0.867 . . . . 0.0 111.261 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.8 Cg_endo -64.47 -22.21 65.68 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 122.977 0.988 . . . . 0.0 110.628 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 25' ' ' ALA . 64.9 mt -70.93 -47.33 59.67 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.085 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.03 71.39 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.5 t60 -53.69 -53.59 49.93 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.454 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . . . -52.99 -40.1 63.55 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.628 0.727 . . . . 0.0 109.795 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.39 -29.64 46.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.182 -0.949 . . . . 0.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 36' ' ' VAL . . . -96.87 11.02 66.28 Favored Glycine 0 N--CA 1.482 1.707 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.511 ' HA ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 mt-10 -52.68 -25.32 10.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.856 -1.379 . . . . 0.0 110.656 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -57.82 -45.78 93.13 Favored Glycine 0 N--CA 1.481 1.647 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -67.17 -39.63 83.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.951 -1.323 . . . . 0.0 108.272 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -57.48 -42.02 81.83 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.45 -45.47 92.92 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.027 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -65.69 -37.19 85.77 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 110.208 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 10.3 mp -104.39 25.26 10.38 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.159 -0.963 . . . . 0.0 110.108 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.62 -32.6 5.92 Favored Glycine 0 N--CA 1.481 1.679 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -98.02 34.22 1.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.313 . . . . 0.0 110.124 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 2.4 mt-10 -100.45 -153.77 0.46 Allowed 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.016 -1.052 . . . . 0.0 109.413 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.95 38.27 28.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.647 -0.658 . . . . 0.0 109.708 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.634 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.6 pt20 -154.39 -179.01 7.54 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.536 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.412 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 69.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.68 37.57 2.09 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.412 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 24.0 m-85 -55.77 -41.32 73.86 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.513 -0.993 . . . . 0.0 110.583 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' HG3' ' HZ3' ' A' ' 4' ' ' LYS . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 HG21 HD11 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.43 HG22 HD13 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.859 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.859 HG23 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.654 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.654 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 HG13 HD13 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG21 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' O ' ' HD3' ' A' ' 23' ' ' PRO . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 -76.32 112.64 22.32 Favored Pre-proline 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.687 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.6 Cg_endo -62.09 -27.4 79.03 Favored 'Trans proline' 0 C--N 1.297 -2.157 0 O-C-N 124.334 1.702 . . . . 0.0 112.722 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.687 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.1 Cg_endo -84.9 -0.44 9.21 Favored 'Trans proline' 0 C--N 1.317 -1.123 0 CA-C-N 119.009 0.682 . . . . 0.0 110.783 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -120.25 -40.31 2.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.72 -1.238 . . . . 0.0 110.559 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.92 -44.29 96.21 Favored Pre-proline 0 C--N 1.296 -1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 112.148 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.0 Cg_endo -64.85 -47.65 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 122.848 0.92 . . . . 0.0 111.527 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD13 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -69.04 -35.86 77.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.785 -1.566 . . . . 0.0 108.732 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.671 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -58.62 -36.96 74.88 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.27 -46.4 86.09 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.699 0.762 . . . . 0.0 108.968 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.49 87.64 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.449 -0.782 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -57.04 -31.35 36.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.51 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.99 32.34 7.64 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 9.5 mm-40 50.56 26.6 2.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.701 -0.882 . . . . 0.0 110.76 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.06 -53.06 20.42 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.425 ' H ' HG21 ' A' ' 36' ' ' VAL . 10.8 t -62.82 -39.67 85.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.283 -1.128 . . . . 0.0 108.37 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.49 -43.77 98.28 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.184 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 2.5 t80 -54.06 -45.48 71.7 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.778 -0.769 . . . . 0.0 108.964 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.22 -37.15 84.86 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.094 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.4 mm? -66.54 -36.4 82.58 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.429 -0.794 . . . . 0.0 109.219 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.58 7.42 87.18 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.67 35.85 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.823 -0.81 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 44.55 32.22 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.749 -0.594 . . . . 0.0 110.425 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.99 53.64 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.031 -1.043 . . . . 0.0 109.711 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.677 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.9 mt-30 -127.21 49.7 2.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.083 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.973 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.07 106.39 0.57 Allowed Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.41 -1.876 . . . . 0.0 108.41 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 -60.42 -34.82 74.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.094 -1.239 . . . . 0.0 110.059 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.617 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.734 ' O ' HG21 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.492 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.734 HG21 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.571 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.762 HG11 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' HD2' HG11 ' A' ' 18' ' ' VAL . 18.3 m-30 -95.23 114.56 64.05 Favored Pre-proline 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.722 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 33.8 Cg_endo -60.04 -30.23 91.07 Favored 'Trans proline' 0 C--N 1.296 -2.219 0 O-C-N 124.296 1.682 . . . . 0.0 112.795 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.722 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.9 Cg_endo -75.86 -18.6 16.81 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 109.999 -0.808 . . . . 0.0 109.999 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -91.87 -31.02 15.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.624 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.5 -48.68 67.11 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.58 -0.7 . . . . 0.0 111.351 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.9 Cg_endo -64.8 -20.6 64.83 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.058 1.03 . . . . 0.0 110.917 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 24' ' ' PRO . 8.9 mp -76.7 -47.39 22.11 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.067 -1.453 . . . . 0.0 107.275 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.74 75.97 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.566 ' HB3' ' O ' ' A' ' 27' ' ' PRO . 44.0 t60 -50.45 -52.41 38.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.687 0.756 . . . . 0.0 109.816 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.24 71.13 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.108 -0.995 . . . . 0.0 111.064 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.44 -32.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 120.926 -1.109 . . . . 0.0 110.831 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.76 -31.11 8.41 Favored Glycine 0 N--CA 1.484 1.842 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' CB ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -136.56 45.24 2.32 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.251 -1.146 . . . . 0.0 109.73 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.12 -45.99 62.62 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 ' H ' HG21 ' A' ' 36' ' ' VAL . 4.0 t -64.14 -42.68 96.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.131 -1.217 . . . . 0.0 108.611 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 18.4 t0 -59.26 -44.34 92.41 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 12.4 t80 -61.6 -46.97 87.56 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.83 -38.31 81.66 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.607 -0.837 . . . . 0.0 108.92 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.78 -55.15 12.15 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.296 -0.877 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.75 55.81 1.0 Allowed Glycine 0 C--N 1.294 -1.795 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -76.2 66.76 2.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.466 -1.02 . . . . 0.0 109.181 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 64.93 -56.62 0.28 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 120.853 0.359 . . . . 0.0 110.609 -179.112 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -87.1 -151.28 0.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.96 -1.088 . . . . 0.0 108.972 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 63.61 -168.96 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.864 -0.523 . . . . 0.0 109.666 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.8 58.63 9.51 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.358 -1.897 . . . . 0.0 108.358 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -108.72 -49.42 3.16 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.226 -1.161 . . . . 0.0 110.026 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.543 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.421 HG21 HD11 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 HD13 HG22 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.69 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.763 ' O ' HG21 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.69 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.651 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG13 HD13 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.699 HG13 ' CB ' ' A' ' 25' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD13 HG13 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.639 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 1.1 m-85 -86.38 115.84 63.61 Favored Pre-proline 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.67 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.72 -27.32 84.61 Favored 'Trans proline' 0 C--N 1.293 -2.361 0 O-C-N 124.453 1.765 . . . . 0.0 112.906 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.67 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 45.9 Cg_endo -84.22 -8.94 9.67 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.699 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -104.0 -39.17 6.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.86 -1.15 . . . . 0.0 110.342 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB1' ' HD3' ' A' ' 27' ' ' PRO . . . -47.48 -51.04 46.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.528 -0.733 . . . . 0.0 111.005 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.613 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 38.3 Cg_endo -66.49 -30.57 43.42 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.163 1.086 . . . . 0.0 109.976 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -70.9 -45.48 64.25 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.78 -35.17 70.44 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.14 -51.27 66.99 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.644 0.735 . . . . 0.0 109.028 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.06 82.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.874 . . . . 0.0 109.166 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.58 45.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.782 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.83 34.54 5.58 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 42.41 39.49 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.806 -0.82 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.57 -52.75 46.64 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.9 t -59.95 -42.75 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -1.104 . . . . 0.0 108.541 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.763 ' HD2' ' HD2' ' A' ' 42' ' ' ASP . 1.9 t70 -58.6 -47.02 85.74 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.212 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.53 -42.74 99.27 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.739 -0.784 . . . . 0.0 109.106 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -32.97 74.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.363 -0.835 . . . . 0.0 109.467 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.82 82.05 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.411 -0.806 . . . . 0.0 109.271 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.54 97.77 2.34 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.726 -1.749 . . . . 0.0 108.726 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.763 ' HD2' ' HD2' ' A' ' 37' ' ' ASP . 5.1 m-20 -76.67 60.18 1.64 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -1.073 . . . . 0.0 109.669 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.7 -164.5 1.46 Allowed 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.276 -0.89 . . . . 0.0 109.585 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.23 173.92 11.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.179 -0.951 . . . . 0.0 108.996 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -110.89 -40.55 4.49 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.432 -0.792 . . . . 0.0 109.396 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.54 0 CA-C-O 117.272 -1.347 . . . . 0.0 108.065 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.88 -54.14 0.59 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.413 ' HA ' HG13 ' A' ' 6' ' ' ILE . 22.5 m-85 -43.96 -43.6 6.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.631 -0.923 . . . . 0.0 110.478 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.739 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.739 HG23 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.591 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.895 HG21 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.607 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.537 ' HB ' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.537 HD13 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.541 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -143.76 122.05 7.03 Favored Pre-proline 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.71 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -61.15 -28.4 85.39 Favored 'Trans proline' 0 C--N 1.298 -2.102 0 O-C-N 124.239 1.652 . . . . 0.0 113.301 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.71 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 47.1 Cg_endo -86.56 -9.0 7.0 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 CA-C-N 118.906 0.645 . . . . 0.0 110.551 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.623 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.05 -19.34 13.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.853 -1.154 . . . . 0.0 110.797 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.693 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -93.46 -5.65 0.11 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 120.87 -1.144 . . . . 0.0 113.514 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 42.5 Cg_endo -73.48 -25.22 15.43 Favored 'Trans proline' 0 C--N 1.318 -1.043 0 N-CA-C 109.721 -0.915 . . . . 0.0 109.721 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.13 -35.74 81.76 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.726 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -54.9 -38.04 67.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.8 t60 -58.86 -48.63 80.7 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.625 0.726 . . . . 0.0 109.211 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.1 65.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.84 -0.538 . . . . 0.0 110.714 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.667 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.82 -13.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.029 -1.044 . . . . 0.0 110.139 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.06 -24.2 8.36 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.86 -44.14 63.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.51 -0.994 . . . . 0.0 109.443 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.438 ' HA3' ' CD2' ' A' ' 30' ' ' HIS . . . -63.83 -43.46 97.6 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.423 ' H ' HG21 ' A' ' 36' ' ' VAL . 8.9 t -62.88 -41.97 94.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.223 -1.163 . . . . 0.0 108.792 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.45 -41.16 96.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.403 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.66 -33.49 76.01 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.072 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.82 -25.99 23.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 110.482 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.97 -63.59 0.81 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.162 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.26 115.87 1.75 Allowed Glycine 0 C--N 1.295 -1.733 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -112.37 38.81 2.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.381 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -76.09 65.39 2.09 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.261 -0.899 . . . . 0.0 109.523 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.04 94.15 0.63 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.326 -0.859 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 27.27 9.78 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.515 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 p90 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 59.13 7.2 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.41 -50.24 0.5 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 122.078 -0.66 . . . . 0.0 111.814 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.532 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.896 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' HG21 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.896 HG23 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.614 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG21 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.647 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 7.4 m-85 -84.14 112.52 41.71 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.668 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.0 Cg_endo -62.12 -26.92 78.4 Favored 'Trans proline' 0 C--N 1.296 -2.199 0 O-C-N 124.391 1.732 . . . . 0.0 112.918 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.668 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 45.8 Cg_endo -82.27 -14.05 9.68 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 CA-C-N 118.995 0.677 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.627 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.31 -20.14 13.23 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.906 -1.121 . . . . 0.0 110.571 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -95.6 3.57 0.07 OUTLIER Pre-proline 0 C--N 1.302 -1.474 0 O-C-N 120.917 -1.115 . . . . 0.0 113.332 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 43.4 Cg_endo -75.99 -26.28 9.55 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 N-CA-C 109.277 -1.086 . . . . 0.0 109.277 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.926 HD11 ' N ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -66.87 -26.98 67.16 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.782 -1.167 . . . . 0.0 108.734 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.926 ' N ' HD11 ' A' ' 28' ' ' LEU . . . -66.33 -33.63 76.16 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.5 t60 -58.26 -56.99 14.95 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.68 -43.38 17.69 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.372 0.606 . . . . 0.0 109.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -44.04 98.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.499 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' HG13 ' A' ' 36' ' ' VAL . . . -66.16 -39.09 94.43 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 30' ' ' HIS . 76.7 mt-10 -56.98 -23.94 49.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.299 -1.118 . . . . 0.0 110.162 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.53 -46.28 81.69 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 37' ' ' ASP . 1.1 p -67.82 -41.03 84.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.009 -1.289 . . . . 0.0 108.67 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -59.76 -38.81 82.84 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.9 t80 -55.99 -55.56 31.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.66 72.74 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.391 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.26 -24.25 67.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.798 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.75 56.8 4.53 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 t70 53.53 29.89 9.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.889 -0.771 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 7.7 mm-40 -117.4 51.46 1.03 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.923 -1.111 . . . . 0.0 109.286 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.34 175.69 9.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.081 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.55 30.42 2.35 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.404 -0.81 . . . . 0.0 109.291 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.152 -1.404 . . . . 0.0 108.114 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 84.4 m-85 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.52 41.01 1.54 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 23.7 m-85 -50.11 -43.77 51.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.934 . . . . 0.0 110.449 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.555 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 HG21 HD11 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.673 ' HA ' HG23 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.642 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.673 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.614 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.565 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.0 m-85 -91.14 106.57 16.5 Favored Pre-proline 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.639 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.4 -26.48 76.74 Favored 'Trans proline' 0 C--N 1.299 -2.076 0 O-C-N 124.218 1.641 . . . . 0.0 112.932 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.639 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 48.1 Cg_endo -87.45 20.62 1.17 Allowed 'Trans proline' 0 C--N 1.316 -1.141 0 N-CA-C 110.419 -0.647 . . . . 0.0 110.419 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.27 -47.67 0.09 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.86 -1.15 . . . . 0.0 110.39 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.695 ' HB1' ' HD3' ' A' ' 27' ' ' PRO . . . -48.76 -54.82 23.81 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.652 -0.655 . . . . 0.0 111.148 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.695 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -69.08 -29.14 27.6 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.082 1.043 . . . . 0.0 110.282 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.67 -45.33 62.27 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.478 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.06 71.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.46 -51.56 66.53 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.91 0.862 . . . . 0.0 109.146 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -59.91 -39.13 84.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.597 -0.689 . . . . 0.0 110.211 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -35.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 C-N-CA 119.524 -0.871 . . . . 0.0 110.237 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.57 -53.37 44.11 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.35 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.86 -0.788 . . . . 0.0 110.104 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.608 ' HA3' ' HA ' ' A' ' 31' ' ' ALA . . . -81.84 -57.32 2.73 Favored Glycine 0 C--N 1.297 -1.614 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 31' ' ' ALA . 13.1 m -54.86 -39.5 48.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.36 -1.083 . . . . 0.0 109.458 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.52 -47.19 87.25 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.062 -1.024 . . . . 0.0 108.833 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.14 -50.24 74.8 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.05 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.82 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.9 pp -75.69 -13.15 60.31 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.443 -0.786 . . . . 0.0 110.959 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.18 -43.02 83.25 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.801 -1.187 . . . . 0.0 108.706 179.552 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.97 51.6 0.02 OUTLIER Glycine 0 N--CA 1.482 1.762 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 37.5 t0 -115.1 33.42 5.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.429 -1.042 . . . . 0.0 109.759 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.87 54.51 1.28 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.986 -1.071 . . . . 0.0 109.423 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.17 -48.18 2.64 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.007 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -141.07 38.79 1.77 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.556 -0.715 . . . . 0.0 109.071 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-O 117.409 -1.282 . . . . 0.0 108.577 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.464 ' H1 ' ' CG ' ' A' ' 5' ' ' ASP . 82.0 t80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.56 -80.97 0.35 Allowed Glycine 0 N--CA 1.482 1.74 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.444 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -174.53 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.481 -1.011 . . . . 0.0 109.556 179.029 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.63 HD13 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.509 ' HD3' ' N ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.509 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.622 ' O ' HG21 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.472 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.779 HG23 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.624 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.624 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 HD12 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.806 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.551 HD12 HG13 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.615 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.2 m-85 -97.82 107.22 38.91 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.658 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.0 Cg_endo -61.05 -26.84 83.64 Favored 'Trans proline' 0 C--N 1.297 -2.16 0 O-C-N 123.916 1.482 . . . . 0.0 112.437 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.658 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.2 Cg_endo -86.36 0.53 8.03 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.29 19.27 5.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.723 -1.235 . . . . 0.0 110.788 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.88 ' HB1' ' CD ' ' A' ' 27' ' ' PRO . . . -131.26 -70.01 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 120.986 -1.071 . . . . 0.0 109.62 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.88 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 39.1 Cg_endo -67.43 -26.6 40.68 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.919 0.958 . . . . 0.0 109.715 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD21 ' HA ' ' A' ' 28' ' ' LEU . 10.9 mt -67.3 -35.4 79.38 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.731 -1.188 . . . . 0.0 108.886 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.619 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -56.44 -33.37 65.79 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.1 t-160 -65.23 -42.7 93.16 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.578 0.704 . . . . 0.0 109.176 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.11 69.08 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.252 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.619 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.4 mm -52.07 -34.58 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' GLU . . . -120.79 26.83 6.71 Favored Glycine 0 N--CA 1.482 1.726 0 N-CA-C 108.586 -1.806 . . . . 0.0 108.586 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . 5.6 mm-40 37.32 44.41 0.45 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 122.095 -0.65 . . . . 0.0 111.161 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -61.68 -48.37 84.74 Favored Glycine 0 N--CA 1.48 1.617 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 HG21 ' N ' ' A' ' 37' ' ' ASP . 17.8 m -60.39 -42.99 92.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.215 -1.168 . . . . 0.0 109.542 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.889 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 26.4 t0 -63.79 -37.91 89.13 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.183 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 81.5 t80 -53.84 -44.27 70.18 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.551 -0.86 . . . . 0.0 108.762 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.1 -37.45 69.53 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.107 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.72 -20.75 63.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.405 -0.81 . . . . 0.0 109.64 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 53.68 13.17 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.889 ' HA ' ' HD2' ' A' ' 37' ' ' ASP . 0.4 OUTLIER 48.99 39.86 15.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 122.057 -0.672 . . . . 0.0 109.649 -179.181 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 48.38 32.88 3.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.965 -0.459 . . . . 0.0 110.582 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.84 67.27 1.61 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.122 -0.986 . . . . 0.0 109.367 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.46 171.62 7.83 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.314 -0.866 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.172 -1.394 . . . . 0.0 108.236 179.457 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.722 ' H2 ' ' CG ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.43 -112.59 3.7 Favored Glycine 0 N--CA 1.482 1.763 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.524 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 -51.38 -41.45 60.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -1.108 . . . . 0.0 110.395 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.722 ' CG ' ' H2 ' ' A' ' 1' ' ' PHE . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.628 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.44 118.19 62.08 Favored Pre-proline 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.651 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.88 -27.25 74.79 Favored 'Trans proline' 0 C--N 1.294 -2.333 0 O-C-N 124.487 1.783 . . . . 0.0 112.955 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.651 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 44.9 Cg_endo -84.14 53.7 4.06 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 N-CA-C 110.069 -0.781 . . . . 0.0 110.069 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 28' ' ' LEU . . . -177.16 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.297 -0.877 . . . . 0.0 110.789 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.627 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.45 -47.2 59.27 Favored Pre-proline 0 N--CA 1.499 1.995 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -60.37 -19.16 57.07 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 122.684 0.834 . . . . 0.0 111.716 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.05 -41.55 81.88 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.595 178.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.42 -47.35 84.22 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.7 66.5 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.021 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.68 32.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.51 -0.744 . . . . 0.0 109.379 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 24.38 5.86 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.12 -42.33 76.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.006 -1.291 . . . . 0.0 108.458 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.33 -37.25 59.31 Favored Glycine 0 N--CA 1.483 1.772 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' H ' HG21 ' A' ' 36' ' ' VAL . 5.0 t -65.25 -45.47 93.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -47.47 78.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 42' ' ' ASP . 23.5 t80 -62.35 -42.23 99.23 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.464 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.12 -30.15 71.06 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.163 -0.96 . . . . 0.0 109.369 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 40' ' ' LEU . 2.6 mp -73.29 -30.01 63.1 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.623 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -97.11 0.11 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 12.6 t0 50.14 35.37 10.05 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.644 -0.915 . . . . 0.0 109.73 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.99 -155.94 0.62 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.75 103.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.611 -0.835 . . . . 0.0 109.229 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -131.61 -47.45 0.97 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.281 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 117.392 -1.29 . . . . 0.0 108.439 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.6 t80 . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . 93.82 -64.95 1.74 Allowed Glycine 0 N--CA 1.485 1.952 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -48.81 -24.89 1.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 122.211 -0.582 . . . . 0.0 111.479 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.529 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.498 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.653 ' HA ' HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HA ' HG21 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.653 HG23 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG21 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG21 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.666 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 21.9 m-85 -81.44 115.37 56.22 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.673 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.73 -27.79 75.92 Favored 'Trans proline' 0 C--N 1.295 -2.275 0 O-C-N 124.445 1.76 . . . . 0.0 113.221 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.673 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.3 Cg_endo -78.06 -46.51 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 N-CA-C 110.179 -0.739 . . . . 0.0 110.179 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 63.99 6.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB1' ' CD ' ' A' ' 27' ' ' PRO . . . -159.0 -62.11 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' CD ' ' HB1' ' A' ' 26' ' ' ALA . 37.6 Cg_endo -64.25 -26.13 64.46 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.178 1.094 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.21 -48.66 61.4 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.059 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -60.56 -34.43 74.14 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 177.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.598 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.6 t60 -55.51 -55.31 33.37 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.197 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' HA ' ' HB2' ' A' ' 34' ' ' GLU . . . -49.29 -40.91 36.5 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.154 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -59.54 -37.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.204 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -87.72 -26.07 30.71 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 67.9 mt-10 -61.25 -9.7 5.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.103 -1.234 . . . . 0.0 111.207 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.97 -51.41 34.8 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 33' ' ' GLY . 22.2 m -60.98 -41.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.008 -1.29 . . . . 0.0 109.181 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' N ' HG21 ' A' ' 36' ' ' VAL . 7.4 t70 -60.0 -40.74 90.26 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.982 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.51 -38.15 66.17 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.489 -0.757 . . . . 0.0 109.3 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.95 -9.44 48.78 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -105.14 -30.23 9.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.933 -1.104 . . . . 0.0 110.39 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 55.67 4.14 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.33 83.15 8.05 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.066 -1.255 . . . . 0.0 109.023 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -78.27 45.37 0.55 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.265 -0.897 . . . . 0.0 110.559 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.53 3.66 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.755 -1.216 . . . . 0.0 109.41 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -121.05 159.74 25.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.337 -0.852 . . . . 0.0 109.523 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 117.308 -1.33 . . . . 0.0 108.5 179.701 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.164 0.507 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.718 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' VAL . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.523 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG23 ' H ' ' A' ' 17' ' ' VAL . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 14' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.914 0.388 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE3' ' N ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' N ' ' HE3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.42 HD12 HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.58 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.603 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.603 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.595 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.604 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 14' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD22 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 17' ' ' VAL . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.603 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 . . . . . 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.507 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.572 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.758 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.3 m-30 . . . . . 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.039 0.447 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG12 HD12 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 1.1 m-85 . . . . . 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.008 0.433 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.76 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 17' ' ' VAL . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.934 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HA ' HG23 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.934 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 17' ' ' VAL . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.4 m-85 . . . . . 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.484 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.7 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.044 0.45 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.702 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 4.0 m-85 . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.823 HG22 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD11 HG12 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 17' ' ' VAL . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CG ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 120.709 0.29 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.577 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.49 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.682 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HA ' HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' VAL . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 21.9 m-85 . . . . . 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.56 -83.38 0.3 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 -56.81 -56.57 19.86 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -1.144 . . . . 0.0 109.889 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.718 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' VAL . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 33.1 m-85 -93.25 109.96 43.42 Favored Pre-proline 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.635 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.59 -28.84 87.31 Favored 'Trans proline' 0 C--N 1.296 -2.206 0 O-C-N 124.247 1.656 . . . . 0.0 113.107 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.8 Cg_endo -81.96 -29.52 1.64 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 CA-C-N 119.015 0.684 . . . . 0.0 110.677 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.74 62.67 7.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.947 -1.095 . . . . 0.0 110.331 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -171.42 -61.64 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.814 . . . . 0.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 39.4 Cg_endo -66.82 -28.4 43.2 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.275 1.145 . . . . 0.0 110.378 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.36 -44.11 88.7 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.643 -1.223 . . . . 0.0 108.461 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.35 -36.24 66.09 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -54.68 -50.52 68.05 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.863 0.839 . . . . 0.0 109.206 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.97 -29.1 68.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -88.66 -30.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.026 -1.047 . . . . 0.0 110.244 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.02 -36.18 11.54 Favored Glycine 0 N--CA 1.482 1.763 0 C-N-CA 119.356 -1.402 . . . . 0.0 109.826 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.78 -31.11 6.84 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.066 -1.255 . . . . 0.0 110.781 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 31' ' ' ALA . . . -54.88 -45.63 79.55 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.628 -1.789 . . . . 0.0 108.628 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 37' ' ' ASP . 22.1 m -56.8 -43.7 80.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.201 -1.176 . . . . 0.0 109.431 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 36' ' ' VAL . 2.1 t70 -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.51 -39.13 72.78 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.87 -30.32 28.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.105 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.73 -37.35 35.78 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 110.171 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.55 117.11 1.49 Allowed Glycine 0 C--N 1.295 -1.747 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.61 24.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -1.182 . . . . 0.0 111.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 31.3 mp0 -95.32 9.99 37.85 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.961 -1.087 . . . . 0.0 109.675 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 43' ' ' GLU . . . 57.9 -142.51 0.7 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.433 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -126.9 110.22 12.8 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.637 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.48 81.4 0.07 OUTLIER Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.665 -1.774 . . . . 0.0 108.665 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.523 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 -52.51 -41.77 63.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.344 -1.092 . . . . 0.0 109.711 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG23 ' H ' ' A' ' 17' ' ' VAL . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.827 HG12 ' CB ' ' A' ' 25' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -128.61 128.53 23.54 Favored Pre-proline 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 36.9 Cg_endo -63.32 -28.34 72.03 Favored 'Trans proline' 0 C--N 1.292 -2.396 0 O-C-N 124.478 1.778 . . . . 0.0 113.159 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 40.7 Cg_endo -71.01 -25.83 22.38 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 N-CA-C 109.709 -0.92 . . . . 0.0 109.709 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.86 ' HA ' HD12 ' A' ' 28' ' ' LEU . . . -97.04 -16.35 20.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.218 -0.926 . . . . 0.0 109.396 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.15 -43.89 46.78 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 0.0 111.33 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.3 Cg_endo -63.38 -23.06 71.75 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 122.786 0.888 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -66.93 -44.43 80.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.569 -1.332 . . . . 0.0 108.139 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB1' ' CD ' ' A' ' 34' ' ' GLU . . . -53.24 -35.88 60.47 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.48 73.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.773 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -67.15 -12.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.28 -0.888 . . . . 0.0 109.941 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 36' ' ' VAL . . . 116.95 -22.09 10.75 Favored Glycine 0 N--CA 1.479 1.546 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' CD ' ' HB1' ' A' ' 29' ' ' ALA . 9.3 mt-10 -57.0 -25.1 57.86 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.19 -1.182 . . . . 0.0 109.728 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.59 -48.42 68.09 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -68.51 -41.56 83.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.076 -1.25 . . . . 0.0 108.3 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -58.84 -41.33 86.68 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.56 -47.28 84.54 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.217 -0.993 . . . . 0.0 108.604 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.92 -35.99 80.01 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.714 . . . . 0.0 109.843 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 3.6 mp -96.94 14.52 25.16 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.234 -0.916 . . . . 0.0 110.175 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 -26.57 28.34 Favored Glycine 0 N--CA 1.482 1.72 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.4 18.01 11.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.938 -1.331 . . . . 0.0 111.052 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -89.61 82.8 6.3 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.917 -1.115 . . . . 0.0 109.388 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 45' ' ' GLN . . . -146.47 155.45 42.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.228 -0.92 . . . . 0.0 109.056 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.694 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 7.8 mt-30 62.0 69.78 0.61 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.482 ' HE2' ' HB2' ' A' ' 4' ' ' LYS . 3.3 t80 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.54 0.79 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 -43.82 -34.22 1.53 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.67 -0.9 . . . . 0.0 110.427 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HB2' ' HE2' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' N ' ' HE3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 HD12 HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.58 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -99.42 107.54 45.68 Favored Pre-proline 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.55 -24.16 75.11 Favored 'Trans proline' 0 C--N 1.296 -2.205 0 O-C-N 124.303 1.686 . . . . 0.0 112.687 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.628 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.0 Cg_endo -83.32 -29.93 1.01 Allowed 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -86.37 -32.78 20.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.197 -0.939 . . . . 0.0 109.584 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.3 -47.48 67.48 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.65 -0.656 . . . . 0.0 112.211 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -68.48 -52.06 0.48 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.018 1.009 . . . . 0.0 111.324 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -68.87 -32.89 72.88 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.706 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -55.55 -37.44 67.99 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' ' HA3' ' A' ' 35' ' ' GLY . 34.3 t60 -60.95 -49.28 78.09 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.07 88.75 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 110.176 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -30.47 47.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.402 -0.811 . . . . 0.0 109.916 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.85 30.41 8.99 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 41.12 39.27 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.803 -0.822 . . . . 0.0 110.742 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 30' ' ' HIS . . . -60.18 -55.67 28.88 Favored Glycine 0 N--CA 1.481 1.7 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 39' ' ' LEU . 4.3 p -60.84 -38.8 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.983 -1.304 . . . . 0.0 108.716 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.96 -40.37 93.08 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.116 -0.99 . . . . 0.0 109.153 179.509 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -42.67 86.18 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 111.028 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -81.65 -16.58 50.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 110.39 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.008 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.99 -65.47 0.99 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.556 -1.34 . . . . 0.0 109.342 178.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.44 30.65 71.16 Favored Glycine 0 N--CA 1.482 1.762 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.622 ' HB2' HD12 ' A' ' 40' ' ' LEU . 28.1 t70 -110.09 39.27 2.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.376 -1.073 . . . . 0.0 108.657 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -115.63 155.32 27.86 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.358 -0.839 . . . . 0.0 109.661 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.64 168.4 18.92 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.113 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.98 28.02 8.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.414 -0.803 . . . . 0.0 109.374 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 CA-C-O 117.076 -1.44 . . . . 0.0 108.02 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.05 109.73 0.23 Allowed Glycine 0 N--CA 1.48 1.612 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 -47.31 -45.53 24.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.65 -0.912 . . . . 0.0 110.029 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.603 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.603 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.595 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.604 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 25' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD22 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.46 132.18 5.32 Favored Pre-proline 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.592 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 37.3 Cg_endo -63.5 -28.87 70.66 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 O-C-N 124.351 1.711 . . . . 0.0 113.878 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.7 Cg_endo -75.34 -28.54 8.55 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 CA-C-N 119.169 0.739 . . . . 0.0 110.588 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -97.9 -20.5 17.43 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 110.152 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.21 -45.44 94.19 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.312 -0.867 . . . . 0.0 111.261 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.8 Cg_endo -64.47 -22.21 65.68 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 122.977 0.988 . . . . 0.0 110.628 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' ALA . 64.9 mt -70.93 -47.33 59.67 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.085 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.03 71.39 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.5 t60 -53.69 -53.59 49.93 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.454 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . . . -52.99 -40.1 63.55 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.628 0.727 . . . . 0.0 109.795 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.39 -29.64 46.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.182 -0.949 . . . . 0.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -96.87 11.02 66.28 Favored Glycine 0 N--CA 1.482 1.707 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 mt-10 -52.68 -25.32 10.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.856 -1.379 . . . . 0.0 110.656 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -57.82 -45.78 93.13 Favored Glycine 0 N--CA 1.481 1.647 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -67.17 -39.63 83.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.951 -1.323 . . . . 0.0 108.272 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -57.48 -42.02 81.83 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.45 -45.47 92.92 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.027 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -65.69 -37.19 85.77 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 110.208 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 10.3 mp -104.39 25.26 10.38 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.159 -0.963 . . . . 0.0 110.108 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.62 -32.6 5.92 Favored Glycine 0 N--CA 1.481 1.679 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -98.02 34.22 1.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.313 . . . . 0.0 110.124 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 2.4 mt-10 -100.45 -153.77 0.46 Allowed 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.016 -1.052 . . . . 0.0 109.413 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.95 38.27 28.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.647 -0.658 . . . . 0.0 109.708 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.634 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.6 pt20 -154.39 -179.01 7.54 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.536 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 69.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.68 37.57 2.09 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 24.0 m-85 -55.77 -41.32 73.86 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.513 -0.993 . . . . 0.0 110.583 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 23' ' ' PRO . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.603 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 -76.32 112.64 22.32 Favored Pre-proline 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.625 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.6 Cg_endo -62.09 -27.4 79.03 Favored 'Trans proline' 0 C--N 1.297 -2.157 0 O-C-N 124.334 1.702 . . . . 0.0 112.722 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.1 Cg_endo -84.9 -0.44 9.21 Favored 'Trans proline' 0 C--N 1.317 -1.123 0 CA-C-N 119.009 0.682 . . . . 0.0 110.783 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -120.25 -40.31 2.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.72 -1.238 . . . . 0.0 110.559 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.92 -44.29 96.21 Favored Pre-proline 0 C--N 1.296 -1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 112.148 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.0 Cg_endo -64.85 -47.65 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 122.848 0.92 . . . . 0.0 111.527 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -69.04 -35.86 77.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.785 -1.566 . . . . 0.0 108.732 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.671 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -58.62 -36.96 74.88 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -58.27 -46.4 86.09 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.699 0.762 . . . . 0.0 108.968 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.49 87.64 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.449 -0.782 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -57.04 -31.35 36.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.51 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.99 32.34 7.64 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 9.5 mm-40 50.56 26.6 2.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.701 -0.882 . . . . 0.0 110.76 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.06 -53.06 20.42 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 36' ' ' VAL . 10.8 t -62.82 -39.67 85.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.283 -1.128 . . . . 0.0 108.37 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.49 -43.77 98.28 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.184 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 2.5 t80 -54.06 -45.48 71.7 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.778 -0.769 . . . . 0.0 108.964 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.22 -37.15 84.86 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.094 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -66.54 -36.4 82.58 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.429 -0.794 . . . . 0.0 109.219 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.58 7.42 87.18 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.67 35.85 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.823 -0.81 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 44.55 32.22 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.749 -0.594 . . . . 0.0 110.425 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.99 53.64 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.031 -1.043 . . . . 0.0 109.711 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.9 mt-30 -127.21 49.7 2.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.083 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.973 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.07 106.39 0.57 Allowed Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.41 -1.876 . . . . 0.0 108.41 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.507 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 -60.42 -34.82 74.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.094 -1.239 . . . . 0.0 110.059 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.572 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.758 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.3 m-30 -95.23 114.56 64.05 Favored Pre-proline 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.666 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 33.8 Cg_endo -60.04 -30.23 91.07 Favored 'Trans proline' 0 C--N 1.296 -2.219 0 O-C-N 124.296 1.682 . . . . 0.0 112.795 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.666 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.9 Cg_endo -75.86 -18.6 16.81 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 109.999 -0.808 . . . . 0.0 109.999 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -91.87 -31.02 15.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.617 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.5 -48.68 67.11 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.58 -0.7 . . . . 0.0 111.351 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.9 Cg_endo -64.8 -20.6 64.83 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.058 1.03 . . . . 0.0 110.917 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 24' ' ' PRO . 8.9 mp -76.7 -47.39 22.11 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.067 -1.453 . . . . 0.0 107.275 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.74 75.97 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' PRO . 44.0 t60 -50.45 -52.41 38.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.687 0.756 . . . . 0.0 109.816 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.24 71.13 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.108 -0.995 . . . . 0.0 111.064 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.44 -32.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 120.926 -1.109 . . . . 0.0 110.831 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.76 -31.11 8.41 Favored Glycine 0 N--CA 1.484 1.842 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -136.56 45.24 2.32 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.251 -1.146 . . . . 0.0 109.73 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.12 -45.99 62.62 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 36' ' ' VAL . 4.0 t -64.14 -42.68 96.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.131 -1.217 . . . . 0.0 108.611 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.531 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 18.4 t0 -59.26 -44.34 92.41 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 12.4 t80 -61.6 -46.97 87.56 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.83 -38.31 81.66 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.607 -0.837 . . . . 0.0 108.92 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.78 -55.15 12.15 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.296 -0.877 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.75 55.81 1.0 Allowed Glycine 0 C--N 1.294 -1.795 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -76.2 66.76 2.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.466 -1.02 . . . . 0.0 109.181 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 64.93 -56.62 0.28 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 120.853 0.359 . . . . 0.0 110.609 -179.112 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -87.1 -151.28 0.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.96 -1.088 . . . . 0.0 108.972 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 63.61 -168.96 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.864 -0.523 . . . . 0.0 109.666 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.8 58.63 9.51 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.358 -1.897 . . . . 0.0 108.358 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -108.72 -49.42 3.16 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.226 -1.161 . . . . 0.0 110.026 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG12 HD12 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG12 ' CB ' ' A' ' 25' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 1.1 m-85 -86.38 115.84 63.61 Favored Pre-proline 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.72 -27.32 84.61 Favored 'Trans proline' 0 C--N 1.293 -2.361 0 O-C-N 124.453 1.765 . . . . 0.0 112.906 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 45.9 Cg_endo -84.22 -8.94 9.67 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.7 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -104.0 -39.17 6.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.86 -1.15 . . . . 0.0 110.342 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -47.48 -51.04 46.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.528 -0.733 . . . . 0.0 111.005 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 38.3 Cg_endo -66.49 -30.57 43.42 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.163 1.086 . . . . 0.0 109.976 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -70.9 -45.48 64.25 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.78 -35.17 70.44 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.14 -51.27 66.99 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.644 0.735 . . . . 0.0 109.028 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.06 82.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.874 . . . . 0.0 109.166 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.58 45.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.782 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.83 34.54 5.58 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 42.41 39.49 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.806 -0.82 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.57 -52.75 46.64 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 36' ' ' VAL . 5.9 t -59.95 -42.75 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -1.104 . . . . 0.0 108.541 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.6 -47.02 85.74 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.212 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.53 -42.74 99.27 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.739 -0.784 . . . . 0.0 109.106 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -32.97 74.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.363 -0.835 . . . . 0.0 109.467 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.82 82.05 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.411 -0.806 . . . . 0.0 109.271 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.54 97.77 2.34 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.726 -1.749 . . . . 0.0 108.726 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.67 60.18 1.64 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -1.073 . . . . 0.0 109.669 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.7 -164.5 1.46 Allowed 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.276 -0.89 . . . . 0.0 109.585 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.23 173.92 11.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.179 -0.951 . . . . 0.0 108.996 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -110.89 -40.55 4.49 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.432 -0.792 . . . . 0.0 109.396 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.54 0 CA-C-O 117.272 -1.347 . . . . 0.0 108.065 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.88 -54.14 0.59 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -43.96 -43.6 6.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.631 -0.923 . . . . 0.0 110.478 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.76 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 17' ' ' VAL . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -143.76 122.05 7.03 Favored Pre-proline 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -61.15 -28.4 85.39 Favored 'Trans proline' 0 C--N 1.298 -2.102 0 O-C-N 124.239 1.652 . . . . 0.0 113.301 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 47.1 Cg_endo -86.56 -9.0 7.0 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 CA-C-N 118.906 0.645 . . . . 0.0 110.551 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.05 -19.34 13.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.853 -1.154 . . . . 0.0 110.797 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.693 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -93.46 -5.65 0.11 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 120.87 -1.144 . . . . 0.0 113.514 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 42.5 Cg_endo -73.48 -25.22 15.43 Favored 'Trans proline' 0 C--N 1.318 -1.043 0 N-CA-C 109.721 -0.915 . . . . 0.0 109.721 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.13 -35.74 81.76 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.726 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -54.9 -38.04 67.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.8 t60 -58.86 -48.63 80.7 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.625 0.726 . . . . 0.0 109.211 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.1 65.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.84 -0.538 . . . . 0.0 110.714 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.629 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.82 -13.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.029 -1.044 . . . . 0.0 110.139 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.06 -24.2 8.36 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.86 -44.14 63.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.51 -0.994 . . . . 0.0 109.443 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' HA3' ' CD2' ' A' ' 30' ' ' HIS . . . -63.83 -43.46 97.6 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.88 -41.97 94.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.223 -1.163 . . . . 0.0 108.792 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.45 -41.16 96.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.403 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.66 -33.49 76.01 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.072 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.82 -25.99 23.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 110.482 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.97 -63.59 0.81 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.162 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.26 115.87 1.75 Allowed Glycine 0 C--N 1.295 -1.733 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -112.37 38.81 2.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.381 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -76.09 65.39 2.09 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.261 -0.899 . . . . 0.0 109.523 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.04 94.15 0.63 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.326 -0.859 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 27.27 9.78 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.515 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 p90 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 59.13 7.2 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.41 -50.24 0.5 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 122.078 -0.66 . . . . 0.0 111.814 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.934 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HA ' HG23 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.934 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 17' ' ' VAL . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 7.4 m-85 -84.14 112.52 41.71 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.606 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.0 Cg_endo -62.12 -26.92 78.4 Favored 'Trans proline' 0 C--N 1.296 -2.199 0 O-C-N 124.391 1.732 . . . . 0.0 112.918 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 45.8 Cg_endo -82.27 -14.05 9.68 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 CA-C-N 118.995 0.677 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.618 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.31 -20.14 13.23 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.906 -1.121 . . . . 0.0 110.571 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -95.6 3.57 0.07 OUTLIER Pre-proline 0 C--N 1.302 -1.474 0 O-C-N 120.917 -1.115 . . . . 0.0 113.332 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 43.4 Cg_endo -75.99 -26.28 9.55 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 N-CA-C 109.277 -1.086 . . . . 0.0 109.277 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -66.87 -26.98 67.16 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.782 -1.167 . . . . 0.0 108.734 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.926 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -66.33 -33.63 76.16 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.5 t60 -58.26 -56.99 14.95 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.68 -43.38 17.69 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.372 0.606 . . . . 0.0 109.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -44.04 98.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.499 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -66.16 -39.09 94.43 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' HIS . 76.7 mt-10 -56.98 -23.94 49.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.299 -1.118 . . . . 0.0 110.162 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.53 -46.28 81.69 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 37' ' ' ASP . 1.1 p -67.82 -41.03 84.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.009 -1.289 . . . . 0.0 108.67 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -59.76 -38.81 82.84 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.9 t80 -55.99 -55.56 31.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.66 72.74 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.391 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.26 -24.25 67.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.798 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.75 56.8 4.53 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 t70 53.53 29.89 9.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.889 -0.771 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 7.7 mm-40 -117.4 51.46 1.03 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.923 -1.111 . . . . 0.0 109.286 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.34 175.69 9.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.081 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.55 30.42 2.35 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.404 -0.81 . . . . 0.0 109.291 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.152 -1.404 . . . . 0.0 108.114 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 84.4 m-85 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.52 41.01 1.54 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 23.7 m-85 -50.11 -43.77 51.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.934 . . . . 0.0 110.449 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.702 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.0 m-85 -91.14 106.57 16.5 Favored Pre-proline 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.6 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.4 -26.48 76.74 Favored 'Trans proline' 0 C--N 1.299 -2.076 0 O-C-N 124.218 1.641 . . . . 0.0 112.932 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 48.1 Cg_endo -87.45 20.62 1.17 Allowed 'Trans proline' 0 C--N 1.316 -1.141 0 N-CA-C 110.419 -0.647 . . . . 0.0 110.419 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.27 -47.67 0.09 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.86 -1.15 . . . . 0.0 110.39 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -48.76 -54.82 23.81 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.652 -0.655 . . . . 0.0 111.148 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -69.08 -29.14 27.6 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.082 1.043 . . . . 0.0 110.282 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.67 -45.33 62.27 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.478 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.06 71.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.46 -51.56 66.53 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.91 0.862 . . . . 0.0 109.146 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -59.91 -39.13 84.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.597 -0.689 . . . . 0.0 110.211 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -35.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 C-N-CA 119.524 -0.871 . . . . 0.0 110.237 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.57 -53.37 44.11 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.35 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.86 -0.788 . . . . 0.0 110.104 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 31' ' ' ALA . . . -81.84 -57.32 2.73 Favored Glycine 0 C--N 1.297 -1.614 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 31' ' ' ALA . 13.1 m -54.86 -39.5 48.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.36 -1.083 . . . . 0.0 109.458 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.52 -47.19 87.25 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.062 -1.024 . . . . 0.0 108.833 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.14 -50.24 74.8 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.05 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 39' ' ' LEU . 3.9 pp -75.69 -13.15 60.31 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.443 -0.786 . . . . 0.0 110.959 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.754 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.18 -43.02 83.25 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.801 -1.187 . . . . 0.0 108.706 179.552 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.97 51.6 0.02 OUTLIER Glycine 0 N--CA 1.482 1.762 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 37.5 t0 -115.1 33.42 5.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.429 -1.042 . . . . 0.0 109.759 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.87 54.51 1.28 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.986 -1.071 . . . . 0.0 109.423 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.17 -48.18 2.64 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.007 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -141.07 38.79 1.77 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.556 -0.715 . . . . 0.0 109.071 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-O 117.409 -1.282 . . . . 0.0 108.577 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.0 t80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.56 -80.97 0.35 Allowed Glycine 0 N--CA 1.482 1.74 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -174.53 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.481 -1.011 . . . . 0.0 109.556 179.029 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.823 HG22 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.805 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD11 HG12 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.2 m-85 -97.82 107.22 38.91 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.617 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 35.0 Cg_endo -61.05 -26.84 83.64 Favored 'Trans proline' 0 C--N 1.297 -2.16 0 O-C-N 123.916 1.482 . . . . 0.0 112.437 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 46.2 Cg_endo -86.36 0.53 8.03 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.29 19.27 5.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.723 -1.235 . . . . 0.0 110.788 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.879 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -131.26 -70.01 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 120.986 -1.071 . . . . 0.0 109.62 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.879 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 39.1 Cg_endo -67.43 -26.6 40.68 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.919 0.958 . . . . 0.0 109.715 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 28' ' ' LEU . 10.9 mt -67.3 -35.4 79.38 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.731 -1.188 . . . . 0.0 108.886 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.662 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -56.44 -33.37 65.79 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.1 t-160 -65.23 -42.7 93.16 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.578 0.704 . . . . 0.0 109.176 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.11 69.08 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.252 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.4 mm -52.07 -34.58 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' GLU . . . -120.79 26.83 6.71 Favored Glycine 0 N--CA 1.482 1.726 0 N-CA-C 108.586 -1.806 . . . . 0.0 108.586 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . 5.6 mm-40 37.32 44.41 0.45 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 122.095 -0.65 . . . . 0.0 111.161 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -61.68 -48.37 84.74 Favored Glycine 0 N--CA 1.48 1.617 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 37' ' ' ASP . 17.8 m -60.39 -42.99 92.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.215 -1.168 . . . . 0.0 109.542 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' GLU . 26.4 t0 -63.79 -37.91 89.13 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.183 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 81.5 t80 -53.84 -44.27 70.18 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.551 -0.86 . . . . 0.0 108.762 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.1 -37.45 69.53 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.107 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 4.8 mp -69.72 -20.75 63.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.405 -0.81 . . . . 0.0 109.64 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 53.68 13.17 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.99 39.86 15.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 122.057 -0.672 . . . . 0.0 109.649 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 48.38 32.88 3.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.965 -0.459 . . . . 0.0 110.582 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.84 67.27 1.61 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.122 -0.986 . . . . 0.0 109.367 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.46 171.62 7.83 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.314 -0.866 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.172 -1.394 . . . . 0.0 108.236 179.457 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.43 -112.59 3.7 Favored Glycine 0 N--CA 1.482 1.763 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 -51.38 -41.45 60.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -1.108 . . . . 0.0 110.395 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 17' ' ' VAL . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.44 118.19 62.08 Favored Pre-proline 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.88 -27.25 74.79 Favored 'Trans proline' 0 C--N 1.294 -2.333 0 O-C-N 124.487 1.783 . . . . 0.0 112.955 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 44.9 Cg_endo -84.14 53.7 4.06 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 N-CA-C 110.069 -0.781 . . . . 0.0 110.069 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' H ' ' HD2' ' A' ' 27' ' ' PRO . . . -177.16 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.297 -0.877 . . . . 0.0 110.789 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.62 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.45 -47.2 59.27 Favored Pre-proline 0 N--CA 1.499 1.995 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -60.37 -19.16 57.07 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 122.684 0.834 . . . . 0.0 111.716 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.05 -41.55 81.88 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.595 178.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.42 -47.35 84.22 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.7 66.5 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.021 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.68 32.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.51 -0.744 . . . . 0.0 109.379 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 24.38 5.86 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.12 -42.33 76.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.006 -1.291 . . . . 0.0 108.458 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.33 -37.25 59.31 Favored Glycine 0 N--CA 1.483 1.772 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.25 -45.47 93.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -47.47 78.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 42' ' ' ASP . 23.5 t80 -62.35 -42.23 99.23 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.464 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.12 -30.15 71.06 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.163 -0.96 . . . . 0.0 109.369 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 mp -73.29 -30.01 63.1 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.623 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -97.11 0.11 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 12.6 t0 50.14 35.37 10.05 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.644 -0.915 . . . . 0.0 109.73 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.99 -155.94 0.62 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.75 103.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.611 -0.835 . . . . 0.0 109.229 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -131.61 -47.45 0.97 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.281 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 117.392 -1.29 . . . . 0.0 108.439 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.6 t80 . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . 93.82 -64.95 1.74 Allowed Glycine 0 N--CA 1.485 1.952 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -48.81 -24.89 1.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 122.211 -0.582 . . . . 0.0 111.479 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.577 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.49 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HA ' HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' VAL . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 21.9 m-85 -81.44 115.37 56.22 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.609 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.73 -27.79 75.92 Favored 'Trans proline' 0 C--N 1.295 -2.275 0 O-C-N 124.445 1.76 . . . . 0.0 113.221 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.3 Cg_endo -78.06 -46.51 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 N-CA-C 110.179 -0.739 . . . . 0.0 110.179 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 63.99 6.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -159.0 -62.11 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 37.6 Cg_endo -64.25 -26.13 64.46 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.178 1.094 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.21 -48.66 61.4 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.059 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.43 74.14 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.8 t-80 -55.51 -55.31 33.37 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.197 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HB2' ' A' ' 34' ' ' GLU . . . -49.29 -40.91 36.5 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.154 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -37.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.204 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -87.72 -26.07 30.71 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 67.9 mt-10 -61.25 -9.7 5.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.103 -1.234 . . . . 0.0 111.207 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.97 -51.41 34.8 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 33' ' ' GLY . 22.2 m -60.98 -41.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.008 -1.29 . . . . 0.0 109.181 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 36' ' ' VAL . 7.4 t70 -60.0 -40.74 90.26 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.982 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.51 -38.15 66.17 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.489 -0.757 . . . . 0.0 109.3 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.95 -9.44 48.78 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -105.14 -30.23 9.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.933 -1.104 . . . . 0.0 110.39 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 55.67 4.14 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.33 83.15 8.05 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.066 -1.255 . . . . 0.0 109.023 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 2.8 pm0 -78.27 45.37 0.55 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.265 -0.897 . . . . 0.0 110.559 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.53 3.66 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.755 -1.216 . . . . 0.0 109.41 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 43' ' ' GLU . 18.9 mt-30 -121.05 159.74 25.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.337 -0.852 . . . . 0.0 109.523 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 117.308 -1.33 . . . . 0.0 108.5 179.701 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.164 0.507 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.718 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' VAL . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.523 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG23 ' H ' ' A' ' 17' ' ' VAL . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 14' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 120.914 0.388 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' HE3' ' N ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' N ' ' HE3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.42 HD12 HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.58 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.018 0.437 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.603 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.541 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.603 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.595 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.604 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 14' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 HD22 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 121.039 0.447 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 17' ' ' VAL . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.603 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 . . . . . 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.507 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.871 0.367 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.572 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.758 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.3 m-30 . . . . . 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 121.039 0.447 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.504 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG12 HD12 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 14' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 1.1 m-85 . . . . . 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 121.008 0.433 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.76 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 17' ' ' VAL . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.934 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HA ' HG23 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.934 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 17' ' ' VAL . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 7.4 m-85 . . . . . 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.484 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.7 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.044 0.45 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.702 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 4.0 m-85 . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.823 HG22 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD11 HG12 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 120.919 0.39 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 17' ' ' VAL . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.513 ' CG ' HG13 ' A' ' 18' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 120.709 0.29 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.577 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.49 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.682 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HA ' HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' VAL . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 21.9 m-85 . . . . . 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.56 -83.38 0.3 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.8 -1.72 . . . . 0.0 108.8 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' ILE . 33.8 m-85 -56.81 -56.57 19.86 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.255 -1.144 . . . . 0.0 109.889 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -57.95 -25.55 61.09 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.283 -0.886 . . . . 0.0 109.869 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.718 ' HA ' ' CZ ' ' A' ' 8' ' ' ARG . 2.7 m-20 -77.02 -42.87 36.85 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.959 -1.088 . . . . 0.0 108.572 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -43.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' PHE . 21.6 mt -56.53 -42.03 74.61 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.718 ' CZ ' ' HA ' ' A' ' 5' ' ' ASP . 13.7 mtm180 -59.73 -45.26 92.72 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.61 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.43 -45.38 93.86 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 119.567 -0.853 . . . . 0.0 108.942 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -62.58 -41.52 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 C-N-CA 119.515 -0.874 . . . . 0.0 108.764 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' NH1' HG22 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -63.82 -23.72 67.47 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 109.479 179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' C ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -93.64 -29.04 15.65 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.178 -0.951 . . . . 0.0 110.065 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -84.36 -30.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.017 -1.052 . . . . 0.0 108.637 179.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.59 4.54 46.55 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.181 -0.949 . . . . 0.0 110.568 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 56.1 t -47.85 -49.25 59.02 Favored Pre-proline 0 N--CA 1.488 1.445 0 C-N-CA 118.868 -1.133 . . . . 0.0 110.313 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 41.4 Cg_endo -70.24 -38.34 6.88 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 O-C-N 122.882 0.938 . . . . 0.0 110.312 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' VAL . 10.7 t -63.78 -44.46 98.26 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 O-C-N 120.952 -1.093 . . . . 0.0 108.956 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 14' ' ' ALA . 67.8 t -59.56 -50.29 80.49 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 121.312 -0.868 . . . . 0.0 109.767 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 m -59.53 -27.53 66.27 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.192 -0.943 . . . . 0.0 111.104 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -95.02 -25.66 16.4 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 120.627 -1.295 . . . . 0.0 110.917 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -91.7 -30.2 16.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.662 -1.274 . . . . 0.0 109.953 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 33.1 m-85 -93.25 109.96 43.42 Favored Pre-proline 0 C--N 1.297 -1.704 0 O-C-N 121.082 -1.011 . . . . 0.0 108.672 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.635 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.59 -28.84 87.31 Favored 'Trans proline' 0 C--N 1.296 -2.206 0 O-C-N 124.247 1.656 . . . . 0.0 113.107 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.635 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.8 Cg_endo -81.96 -29.52 1.64 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 CA-C-N 119.015 0.684 . . . . 0.0 110.677 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.74 62.67 7.04 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.947 -1.095 . . . . 0.0 110.331 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.815 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -171.42 -61.64 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.814 . . . . 0.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 39.4 Cg_endo -66.82 -28.4 43.2 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.275 1.145 . . . . 0.0 110.378 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 mt -65.36 -44.11 88.7 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.643 -1.223 . . . . 0.0 108.461 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.35 -36.24 66.09 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -54.68 -50.52 68.05 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 121.863 0.839 . . . . 0.0 109.206 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' O ' ' HA3' ' A' ' 35' ' ' GLY . . . -59.97 -29.1 68.21 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.267 -0.895 . . . . 0.0 110.235 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -88.66 -30.54 5.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.026 -1.047 . . . . 0.0 110.244 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.02 -36.18 11.54 Favored Glycine 0 N--CA 1.482 1.763 0 C-N-CA 119.356 -1.402 . . . . 0.0 109.826 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -112.78 -31.11 6.84 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.066 -1.255 . . . . 0.0 110.781 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 31' ' ' ALA . . . -54.88 -45.63 79.55 Favored Glycine 0 N--CA 1.485 1.903 0 N-CA-C 108.628 -1.789 . . . . 0.0 108.628 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 37' ' ' ASP . 22.1 m -56.8 -43.7 80.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.201 -1.176 . . . . 0.0 109.431 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' N ' HG23 ' A' ' 36' ' ' VAL . 2.1 t70 -64.08 -44.08 93.46 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -56.51 -39.13 72.78 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.044 -0.663 . . . . 0.0 109.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.87 -30.32 28.68 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.282 -0.886 . . . . 0.0 110.105 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 tp -79.73 -37.35 35.78 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.263 -0.898 . . . . 0.0 110.171 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.55 117.11 1.49 Allowed Glycine 0 C--N 1.295 -1.747 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -81.61 24.0 0.61 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.191 -1.182 . . . . 0.0 111.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 31.3 mp0 -95.32 9.99 37.85 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 120.961 -1.087 . . . . 0.0 109.675 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 43' ' ' GLU . . . 57.9 -142.51 0.7 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.424 -0.797 . . . . 0.0 109.433 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -126.9 110.22 12.8 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.034 -1.041 . . . . 0.0 109.336 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.511 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.637 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.48 81.4 0.07 OUTLIER Glycine 0 N--CA 1.483 1.767 0 N-CA-C 108.665 -1.774 . . . . 0.0 108.665 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.523 ' HA ' HG13 ' A' ' 6' ' ' ILE . 23.0 m-85 -52.51 -41.77 63.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.344 -1.092 . . . . 0.0 109.711 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -48.82 -44.58 39.42 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.207 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.9 t70 -69.06 -37.85 78.76 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.018 -1.051 . . . . 0.0 109.279 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.0 OUTLIER -59.22 -41.5 84.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 178.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -61.39 -42.54 94.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 178.371 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 2.5 mtp85 -58.92 -43.15 91.03 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.52 -45.69 91.0 Favored 'General case' 0 C--N 1.303 -1.433 0 C-N-CA 119.772 -0.771 . . . . 0.0 109.292 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.9 OUTLIER -65.75 -41.13 89.68 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.585 -0.846 . . . . 0.0 109.03 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -62.51 -36.99 84.29 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.922 -1.112 . . . . 0.0 108.265 179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.554 ' HA ' HG23 ' A' ' 15' ' ' VAL . 7.0 mtm105 -71.64 -48.05 50.41 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.647 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -64.86 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 121.129 -0.982 . . . . 0.0 109.532 -179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.41 -2.02 58.36 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.85 -1.156 . . . . 0.0 110.702 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 14.3 t -47.21 -50.76 45.88 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 111.092 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.7 Cg_endo -65.92 -48.84 2.52 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 122.998 0.999 . . . . 0.0 111.077 -178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG23 ' H ' ' A' ' 17' ' ' VAL . 4.0 t -60.64 -41.31 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 121.474 -0.766 . . . . 0.0 109.726 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.827 HG12 ' CB ' ' A' ' 25' ' ' ALA . 76.0 t -59.42 -42.41 87.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 O-C-N 120.987 -1.071 . . . . 0.0 108.319 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 14.9 m -65.21 -24.99 67.51 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.208 -0.933 . . . . 0.0 110.587 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.11 -33.24 16.34 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.673 -1.267 . . . . 0.0 110.564 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 21' ' ' LEU . 7.9 mp -102.18 -9.49 20.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.997 -1.064 . . . . 0.0 111.319 -178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.653 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -128.61 128.53 23.54 Favored Pre-proline 0 C--N 1.3 -1.553 0 O-C-N 120.697 -1.252 . . . . 0.0 109.677 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 36.9 Cg_endo -63.32 -28.34 72.03 Favored 'Trans proline' 0 C--N 1.292 -2.396 0 O-C-N 124.478 1.778 . . . . 0.0 113.159 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.653 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 40.7 Cg_endo -71.01 -25.83 22.38 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 N-CA-C 109.709 -0.92 . . . . 0.0 109.709 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.86 ' HA ' HD12 ' A' ' 28' ' ' LEU . . . -97.04 -16.35 20.59 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.218 -0.926 . . . . 0.0 109.396 179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.15 -43.89 46.78 Favored Pre-proline 0 N--CA 1.488 1.453 0 O-C-N 121.387 -0.82 . . . . 0.0 111.33 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.3 Cg_endo -63.38 -23.06 71.75 Favored 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 122.786 0.888 . . . . 0.0 111.088 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -66.93 -44.43 80.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 120.569 -1.332 . . . . 0.0 108.139 178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' HB1' ' CD ' ' A' ' 34' ' ' GLU . . . -53.24 -35.88 60.47 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -55.01 -52.33 63.47 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 -32.48 73.67 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 120.093 -0.643 . . . . 0.0 109.773 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -67.15 -12.6 15.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.496 0 O-C-N 121.28 -0.888 . . . . 0.0 109.941 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 36' ' ' VAL . . . 116.95 -22.09 10.75 Favored Glycine 0 N--CA 1.479 1.546 0 N-CA-C 108.559 -1.816 . . . . 0.0 108.559 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' CD ' ' HB1' ' A' ' 29' ' ' ALA . 9.3 mt-10 -57.0 -25.1 57.86 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.19 -1.182 . . . . 0.0 109.728 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.59 -48.42 68.09 Favored Glycine 0 N--CA 1.481 1.685 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -68.51 -41.56 83.18 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 O-C-N 121.076 -1.25 . . . . 0.0 108.3 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -58.84 -41.33 86.68 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 178.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -62.56 -47.28 84.54 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 119.217 -0.993 . . . . 0.0 108.604 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.92 -35.99 80.01 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.557 -0.714 . . . . 0.0 109.843 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 3.6 mp -96.94 14.52 25.16 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.234 -0.916 . . . . 0.0 110.175 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 -26.57 28.34 Favored Glycine 0 N--CA 1.482 1.72 0 N-CA-C 109.355 -1.498 . . . . 0.0 109.355 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.4 18.01 11.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.938 -1.331 . . . . 0.0 111.052 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 1.5 mt-10 -89.61 82.8 6.3 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 120.917 -1.115 . . . . 0.0 109.388 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 45' ' ' GLN . . . -146.47 155.45 42.56 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.228 -0.92 . . . . 0.0 109.056 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.694 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 7.8 mt-30 62.0 69.78 0.61 Allowed 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 117.577 -1.201 . . . . 0.0 109.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.482 ' HE2' ' HB2' ' A' ' 4' ' ' LYS . 3.3 t80 . . . . . 0 N--CA 1.485 1.305 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.44 -41.54 0.79 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.554 ' HA ' HG13 ' A' ' 6' ' ' ILE . 4.3 m-30 -43.82 -34.22 1.53 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.67 -0.9 . . . . 0.0 110.427 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' HB2' ' HE2' ' A' ' 1' ' ' PHE . 0.5 OUTLIER -48.56 -34.69 11.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.385 -0.822 . . . . 0.0 110.873 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' N ' ' HE3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -81.01 -33.61 33.49 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.266 -1.521 . . . . 0.0 108.654 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.554 HG13 ' HA ' ' A' ' 3' ' ' PHE . 1.3 mt -63.25 -42.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 HD12 HG21 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -60.86 -37.0 75.52 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 178.696 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -44.58 95.62 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.54 91.78 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.658 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -60.1 -38.47 77.09 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.546 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -66.3 -38.09 86.93 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.02 -1.05 . . . . 0.0 108.479 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.7 62.26 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.427 -0.796 . . . . 0.0 110.262 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -87.09 -26.97 5.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.18 -5.69 58.66 Favored 'General case' 0 C--O 1.202 -1.41 0 O-C-N 121.35 -0.844 . . . . 0.0 110.365 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.58 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 61.3 t -36.24 -52.68 1.69 Allowed Pre-proline 0 N--CA 1.495 1.815 0 CA-C-N 118.987 0.812 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.7 Cg_endo -70.2 -41.15 3.93 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 O-C-N 122.848 0.92 . . . . 0.0 110.628 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 3.9 t -63.78 -30.9 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.549 -0.719 . . . . 0.0 109.554 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.0 t -60.99 -48.82 87.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -57.78 -33.07 68.14 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.637 -0.664 . . . . 0.0 110.279 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -84.42 -29.85 25.82 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.677 -1.264 . . . . 0.0 110.867 -179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' LEU . 6.6 tp -89.05 -26.96 21.13 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.923 -1.11 . . . . 0.0 110.814 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.628 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -99.42 107.54 45.68 Favored Pre-proline 0 C--N 1.296 -1.758 0 O-C-N 120.91 -1.119 . . . . 0.0 109.784 -179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.599 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.55 -24.16 75.11 Favored 'Trans proline' 0 C--N 1.296 -2.205 0 O-C-N 124.303 1.686 . . . . 0.0 112.687 178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.628 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.0 Cg_endo -83.32 -29.93 1.01 Allowed 'Trans proline' 0 C--N 1.319 -0.997 0 N-CA-C 109.668 -0.935 . . . . 0.0 109.668 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -86.37 -32.78 20.78 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.197 -0.939 . . . . 0.0 109.584 179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.3 -47.48 67.48 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.65 -0.656 . . . . 0.0 112.211 -179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.7 Cg_endo -68.48 -52.06 0.48 Allowed 'Trans proline' 0 C--N 1.31 -1.465 0 O-C-N 123.018 1.009 . . . . 0.0 111.324 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -68.87 -32.89 72.88 Favored 'General case' 0 C--N 1.294 -1.807 0 C-N-CA 118.255 -1.378 . . . . 0.0 109.706 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -55.55 -37.44 67.99 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' ' HA3' ' A' ' 35' ' ' GLY . 34.3 t60 -60.95 -49.28 78.09 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.53 -45.07 88.75 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 110.176 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -30.47 47.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.711 0 O-C-N 121.402 -0.811 . . . . 0.0 109.916 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.85 30.41 8.99 Favored Glycine 0 N--CA 1.484 1.841 0 N-CA-C 109.674 -1.371 . . . . 0.0 109.674 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 41.12 39.27 0.86 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.803 -0.822 . . . . 0.0 110.742 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' CE1' ' A' ' 30' ' ' HIS . . . -60.18 -55.67 28.88 Favored Glycine 0 N--CA 1.481 1.7 0 N-CA-C 108.964 -1.654 . . . . 0.0 108.964 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 39' ' ' LEU . 4.3 p -60.84 -38.8 79.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.983 -1.304 . . . . 0.0 108.716 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -60.96 -40.37 93.08 Favored 'General case' 0 C--N 1.289 -2.054 0 O-C-N 121.116 -0.99 . . . . 0.0 109.153 179.509 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -42.67 86.18 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.582 -0.699 . . . . 0.0 111.028 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -81.65 -16.58 50.93 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.028 -1.045 . . . . 0.0 110.39 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.008 ' N ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -92.99 -65.47 0.99 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.556 -1.34 . . . . 0.0 109.342 178.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.44 30.65 71.16 Favored Glycine 0 N--CA 1.482 1.762 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.622 ' HB2' HD12 ' A' ' 40' ' ' LEU . 28.1 t70 -110.09 39.27 2.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.376 -1.073 . . . . 0.0 108.657 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -115.63 155.32 27.86 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.358 -0.839 . . . . 0.0 109.661 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.64 168.4 18.92 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.199 -0.938 . . . . 0.0 109.113 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.98 28.02 8.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.414 -0.803 . . . . 0.0 109.374 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 CA-C-O 117.076 -1.44 . . . . 0.0 108.02 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.05 109.73 0.23 Allowed Glycine 0 N--CA 1.48 1.612 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' ' 7' ' ' ILE . 20.7 m-85 -47.31 -45.53 24.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.65 -0.912 . . . . 0.0 110.029 -179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -48.16 -37.73 16.31 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 110.489 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.603 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 2.7 t0 -74.93 -38.5 61.76 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.826 -1.171 . . . . 0.0 108.283 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.541 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -57.9 -40.32 75.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 3' ' ' PHE . 18.4 mm -58.08 -48.05 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.603 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 14.6 ttm180 -60.71 -44.42 96.61 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.74 83.86 Favored 'General case' 0 C--N 1.302 -1.5 0 C-N-CA 119.913 -0.715 . . . . 0.0 109.258 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.595 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.06 -39.29 84.64 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.638 0 C-N-CA 119.387 -0.925 . . . . 0.0 108.698 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -64.1 -37.34 87.09 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 120.894 -1.129 . . . . 0.0 108.942 179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HA ' HG23 ' A' ' 15' ' ' VAL . 2.4 mtp180 -75.0 -48.83 22.13 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.14 -0.975 . . . . 0.0 109.975 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -61.56 -32.41 53.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.172 -0.955 . . . . 0.0 109.589 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -85.28 4.25 35.82 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.895 -1.128 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 16.6 t -54.19 -55.51 35.95 Favored Pre-proline 0 N--CA 1.486 1.367 0 O-C-N 120.771 -1.206 . . . . 0.0 109.927 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.604 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 43.7 Cg_endo -72.09 -34.0 8.81 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 O-C-N 123.457 1.24 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.5 t -64.97 -39.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.781 -1.199 . . . . 0.0 108.298 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG12 ' CB ' ' A' ' 25' ' ' ALA . 39.9 t -63.94 -38.91 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.554 -0.716 . . . . 0.0 109.294 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.441 ' HA ' ' CB ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -59.81 -41.43 91.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.665 -1.272 . . . . 0.0 109.721 179.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.544 ' C ' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -82.12 -20.78 37.33 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.284 -0.885 . . . . 0.0 111.023 -179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 HD22 ' C ' ' A' ' 20' ' ' THR . 2.8 mm? -117.51 22.18 12.57 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.598 -1.313 . . . . 0.0 111.025 -179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.597 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -157.46 132.18 5.32 Favored Pre-proline 0 C--N 1.302 -1.486 0 O-C-N 120.718 -1.239 . . . . 0.0 109.279 179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.592 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 37.3 Cg_endo -63.5 -28.87 70.66 Favored 'Trans proline' 0 C--N 1.297 -2.155 0 O-C-N 124.351 1.711 . . . . 0.0 113.878 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.597 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 43.7 Cg_endo -75.34 -28.54 8.55 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 CA-C-N 119.169 0.739 . . . . 0.0 110.588 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.721 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -97.9 -20.5 17.43 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.869 -1.144 . . . . 0.0 110.152 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.21 -45.44 94.19 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.312 -0.867 . . . . 0.0 111.261 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.8 Cg_endo -64.47 -22.21 65.68 Favored 'Trans proline' 0 C--N 1.313 -1.334 0 O-C-N 122.977 0.988 . . . . 0.0 110.628 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 25' ' ' ALA . 64.9 mt -70.93 -47.33 59.67 Favored 'General case' 0 C--N 1.301 -1.511 0 C-N-CA 118.573 -1.251 . . . . 0.0 108.085 178.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.39 -35.03 71.39 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.5 t60 -53.69 -53.59 49.93 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.454 178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' HA ' ' CD ' ' A' ' 34' ' ' GLU . . . -52.99 -40.1 63.55 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.628 0.727 . . . . 0.0 109.795 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -67.39 -29.64 46.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.819 0 O-C-N 121.182 -0.949 . . . . 0.0 109.463 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.538 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -96.87 11.02 66.28 Favored Glycine 0 N--CA 1.482 1.707 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.541 ' HA ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 mt-10 -52.68 -25.32 10.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.856 -1.379 . . . . 0.0 110.656 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -57.82 -45.78 93.13 Favored Glycine 0 N--CA 1.481 1.647 0 N-CA-C 108.667 -1.773 . . . . 0.0 108.667 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 33' ' ' GLY . 0.8 OUTLIER -67.17 -39.63 83.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 120.951 -1.323 . . . . 0.0 108.272 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -57.48 -42.02 81.83 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.201 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.45 -45.47 92.92 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.027 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -65.69 -37.19 85.77 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.351 -0.843 . . . . 0.0 110.208 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HA ' ' HG3' ' A' ' 43' ' ' GLU . 10.3 mp -104.39 25.26 10.38 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.159 -0.963 . . . . 0.0 110.108 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.62 -32.6 5.92 Favored Glycine 0 N--CA 1.481 1.679 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -98.02 34.22 1.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.313 . . . . 0.0 110.124 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.508 ' HG3' ' HA ' ' A' ' 40' ' ' LEU . 2.4 mt-10 -100.45 -153.77 0.46 Allowed 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.016 -1.052 . . . . 0.0 109.413 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 53.95 38.27 28.46 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.647 -0.658 . . . . 0.0 109.708 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.634 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.6 pt20 -154.39 -179.01 7.54 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.536 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 69.2 m-85 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.68 37.57 2.09 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 24.0 m-85 -55.77 -41.32 73.86 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.513 -0.993 . . . . 0.0 110.583 -179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -47.14 -38.99 12.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 111.014 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.19 -39.51 75.17 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.069 -1.02 . . . . 0.0 109.371 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -68.15 -40.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.037 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG21 HD12 ' A' ' 7' ' ' ILE . 1.0 OUTLIER -56.17 -42.13 71.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.465 -0.772 . . . . 0.0 109.172 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -45.96 91.79 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.311 -0.956 . . . . 0.0 108.836 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.41 -42.85 95.83 Favored 'General case' 0 C--N 1.302 -1.494 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.098 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.86 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.3 mm -65.18 -36.96 78.99 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 C-N-CA 119.699 -0.801 . . . . 0.0 109.359 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -33.68 70.09 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.015 -1.053 . . . . 0.0 109.141 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -84.41 -47.07 11.05 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.356 -0.938 . . . . 0.0 110.01 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.86 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.3 tp -67.96 -26.14 33.92 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.027 -1.046 . . . . 0.0 110.172 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.757 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.36 -11.46 57.61 Favored 'General case' 0 C--O 1.199 -1.586 0 O-C-N 121.025 -1.047 . . . . 0.0 111.542 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.616 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 99.0 t -43.8 -52.35 14.92 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 120.754 -1.216 . . . . 0.0 110.377 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.616 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 42.4 Cg_endo -72.09 -44.02 1.0 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 122.711 0.848 . . . . 0.0 110.06 179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG12 HD12 ' A' ' 21' ' ' LEU . 12.4 t -57.93 -33.18 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.702 -0.623 . . . . 0.0 109.723 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 14' ' ' ALA . 71.7 t -62.47 -46.33 96.67 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.9 m -60.54 -24.7 65.58 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.145 -0.972 . . . . 0.0 110.285 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.77 -27.85 15.04 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.74 -1.225 . . . . 0.0 111.503 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 23' ' ' PRO . 27.7 mt -105.98 -32.04 8.49 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.794 -1.191 . . . . 0.0 111.87 -178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.603 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 5.2 m-85 -76.32 112.64 22.32 Favored Pre-proline 0 C--N 1.298 -1.664 0 O-C-N 120.752 -1.218 . . . . 0.0 109.671 -179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.625 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.6 Cg_endo -62.09 -27.4 79.03 Favored 'Trans proline' 0 C--N 1.297 -2.157 0 O-C-N 124.334 1.702 . . . . 0.0 112.722 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.625 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 46.1 Cg_endo -84.9 -0.44 9.21 Favored 'Trans proline' 0 C--N 1.317 -1.123 0 CA-C-N 119.009 0.682 . . . . 0.0 110.783 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -120.25 -40.31 2.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.72 -1.238 . . . . 0.0 110.559 -179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -52.92 -44.29 96.21 Favored Pre-proline 0 C--N 1.296 -1.724 0 O-C-N 121.356 -0.84 . . . . 0.0 112.148 -179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 38.0 Cg_endo -64.85 -47.65 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 122.848 0.92 . . . . 0.0 111.527 -178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.671 HD12 ' N ' ' A' ' 29' ' ' ALA . 4.2 pp -69.04 -35.86 77.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 117.785 -1.566 . . . . 0.0 108.732 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.671 ' N ' HD12 ' A' ' 28' ' ' LEU . . . -58.62 -36.96 74.88 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -58.27 -46.4 86.09 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.699 0.762 . . . . 0.0 108.968 178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.13 -37.49 87.64 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.449 -0.782 . . . . 0.0 109.484 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -57.04 -31.35 36.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.526 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.51 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.99 32.34 7.64 Favored Glycine 0 N--CA 1.484 1.851 0 N-CA-C 108.816 -1.714 . . . . 0.0 108.816 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 38' ' ' TYR . 9.5 mm-40 50.56 26.6 2.49 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.701 -0.882 . . . . 0.0 110.76 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.06 -53.06 20.42 Favored Glycine 0 N--CA 1.481 1.686 0 N-CA-C 108.117 -1.993 . . . . 0.0 108.117 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 36' ' ' VAL . 10.8 t -62.82 -39.67 85.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.283 -1.128 . . . . 0.0 108.37 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -61.49 -43.77 98.28 Favored 'General case' 0 C--N 1.301 -1.508 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.184 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 2.5 t80 -54.06 -45.48 71.7 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.778 -0.769 . . . . 0.0 108.964 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.22 -37.15 84.86 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 119.678 -0.809 . . . . 0.0 109.094 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 40' ' ' LEU . 1.4 mm? -66.54 -36.4 82.58 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.429 -0.794 . . . . 0.0 109.219 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.58 7.42 87.18 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 40.67 35.85 0.35 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.823 -0.81 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 44.55 32.22 0.72 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.749 -0.594 . . . . 0.0 110.425 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.89 -25.99 53.64 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.031 -1.043 . . . . 0.0 109.711 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.9 mt-30 -127.21 49.7 2.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.083 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.973 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.07 106.39 0.57 Allowed Glycine 0 N--CA 1.484 1.859 0 N-CA-C 108.41 -1.876 . . . . 0.0 108.41 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.507 ' O ' HG13 ' A' ' 7' ' ' ILE . 6.4 m-85 -60.42 -34.82 74.51 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.094 -1.239 . . . . 0.0 110.059 -179.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -51.41 -36.08 42.09 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 110.54 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.572 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -73.81 -40.12 63.6 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.023 -1.048 . . . . 0.0 108.589 179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -63.11 -45.81 97.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 3' ' ' PHE . 0.9 OUTLIER -59.65 -40.7 82.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 39.6 ttm105 -60.74 -46.32 90.89 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -44.1 97.45 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 119.492 -0.883 . . . . 0.0 108.886 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.44 -40.21 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 C-N-CA 119.625 -0.83 . . . . 0.0 108.877 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.735 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.2 tpt85 -63.07 -41.77 99.52 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.937 -1.102 . . . . 0.0 108.507 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -40.94 78.28 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.434 -0.791 . . . . 0.0 110.271 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.659 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.14 -28.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 C-N-CA 119.254 -0.979 . . . . 0.0 109.41 -179.37 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.78 -11.71 58.07 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.054 -1.029 . . . . 0.0 110.887 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 11' ' ' ARG . 71.0 t -45.98 -53.04 23.3 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 120.855 -1.153 . . . . 0.0 110.786 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.576 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.9 Cg_endo -69.05 -40.95 5.7 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 O-C-N 123.048 1.025 . . . . 0.0 110.608 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' H ' HG23 ' A' ' 17' ' ' VAL . 8.4 t -61.53 -45.49 98.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 O-C-N 121.008 -1.057 . . . . 0.0 109.137 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 22' ' ' PHE . 81.0 t -60.44 -47.46 92.48 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 109.869 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.1 m -62.05 -25.77 67.87 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.112 -0.992 . . . . 0.0 111.213 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -99.64 -24.46 14.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.734 -1.229 . . . . 0.0 111.276 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.48 -34.97 9.71 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.706 -1.246 . . . . 0.0 110.228 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.758 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.3 m-30 -95.23 114.56 64.05 Favored Pre-proline 0 C--N 1.297 -1.715 0 O-C-N 120.864 -1.148 . . . . 0.0 109.118 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.666 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 33.8 Cg_endo -60.04 -30.23 91.07 Favored 'Trans proline' 0 C--N 1.296 -2.219 0 O-C-N 124.296 1.682 . . . . 0.0 112.795 179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.666 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.9 Cg_endo -75.86 -18.6 16.81 Favored 'Trans proline' 0 C--N 1.317 -1.09 0 N-CA-C 109.999 -0.808 . . . . 0.0 109.999 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.615 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -91.87 -31.02 15.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.074 -1.016 . . . . 0.0 109.762 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.617 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -48.5 -48.68 67.11 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.58 -0.7 . . . . 0.0 111.351 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 37.9 Cg_endo -64.8 -20.6 64.83 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 O-C-N 123.058 1.03 . . . . 0.0 110.917 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 24' ' ' PRO . 8.9 mp -76.7 -47.39 22.11 Favored 'General case' 0 C--N 1.295 -1.784 0 C-N-CA 118.067 -1.453 . . . . 0.0 107.275 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.14 -35.74 75.97 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' PRO . 44.0 t60 -50.45 -52.41 38.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.687 0.756 . . . . 0.0 109.816 178.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.24 71.13 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.108 -0.995 . . . . 0.0 111.064 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.44 -32.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 O-C-N 120.926 -1.109 . . . . 0.0 110.831 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.76 -31.11 8.41 Favored Glycine 0 N--CA 1.484 1.842 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CB ' ' HB3' ' A' ' 37' ' ' ASP . 0.2 OUTLIER -136.56 45.24 2.32 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.251 -1.146 . . . . 0.0 109.73 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -53.12 -45.99 62.62 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG23 ' H ' ' A' ' 36' ' ' VAL . 4.0 t -64.14 -42.68 96.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.131 -1.217 . . . . 0.0 108.611 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.531 ' HB3' ' CB ' ' A' ' 34' ' ' GLU . 18.4 t0 -59.26 -44.34 92.41 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.492 ' HB2' ' CD2' ' A' ' 30' ' ' HIS . 12.4 t80 -61.6 -46.97 87.56 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.83 -38.31 81.66 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.607 -0.837 . . . . 0.0 108.92 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.78 -55.15 12.15 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.296 -0.877 . . . . 0.0 108.978 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.75 55.81 1.0 Allowed Glycine 0 C--N 1.294 -1.795 0 N-CA-C 109.102 -1.599 . . . . 0.0 109.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -76.2 66.76 2.38 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.466 -1.02 . . . . 0.0 109.181 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER 64.93 -56.62 0.28 Allowed 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 120.853 0.359 . . . . 0.0 110.609 -179.112 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' ASP . . . -87.1 -151.28 0.17 Allowed 'General case' 0 C--N 1.299 -1.596 0 O-C-N 120.96 -1.088 . . . . 0.0 108.972 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 0.0 OUTLIER 63.61 -168.96 0.2 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.864 -0.523 . . . . 0.0 109.666 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 . . . . . 0 N--CA 1.487 1.4 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.8 58.63 9.51 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 108.358 -1.897 . . . . 0.0 108.358 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -108.72 -49.42 3.16 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.226 -1.161 . . . . 0.0 110.026 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -49.82 -44.81 49.51 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.41 -0.806 . . . . 0.0 110.186 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 1.5 p-10 -58.13 -44.07 87.58 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.312 -0.868 . . . . 0.0 109.262 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.422 HG23 HD13 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -66.32 -42.4 90.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 7' ' ' ILE . 0.9 OUTLIER -57.99 -37.4 60.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.28 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.504 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 11.1 mtp180 -61.61 -45.64 93.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.895 -1.128 . . . . 0.0 109.373 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.22 -40.9 74.26 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.083 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.711 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -63.82 -36.19 75.78 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.764 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.8 ttm180 -63.05 -40.08 96.66 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 118.902 -1.119 . . . . 0.0 108.366 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -67.94 -47.89 67.44 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.718 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.711 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -69.35 -26.14 30.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 C-N-CA 119.267 -0.973 . . . . 0.0 109.771 -179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -83.62 -17.97 39.74 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 120.92 -1.112 . . . . 0.0 111.043 -179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 11' ' ' ARG . 68.9 t -42.42 -52.63 10.05 Favored Pre-proline 0 N--CA 1.495 1.795 0 O-C-N 121.074 -1.016 . . . . 0.0 111.088 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.589 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.3 Cg_endo -68.86 -40.6 6.64 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 O-C-N 122.874 0.934 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG12 HD12 ' A' ' 21' ' ' LEU . 10.6 t -63.2 -40.42 88.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 O-C-N 121.063 -1.023 . . . . 0.0 109.354 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG12 ' CB ' ' A' ' 25' ' ' ALA . 62.4 t -64.38 -49.43 80.92 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.185 -0.947 . . . . 0.0 109.314 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m -58.69 -24.97 62.35 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 120.995 -1.065 . . . . 0.0 111.112 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -102.68 -24.43 13.75 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.609 -1.307 . . . . 0.0 111.743 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD12 HG12 ' A' ' 17' ' ' VAL . 31.6 mt -109.91 -29.72 8.14 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.505 -1.372 . . . . 0.0 110.829 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 1.1 m-85 -86.38 115.84 63.61 Favored Pre-proline 0 C--N 1.297 -1.675 0 O-C-N 120.85 -1.156 . . . . 0.0 109.169 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.607 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -60.72 -27.32 84.61 Favored 'Trans proline' 0 C--N 1.293 -2.361 0 O-C-N 124.453 1.765 . . . . 0.0 112.906 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 45.9 Cg_endo -84.22 -8.94 9.67 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.7 ' CB ' HG12 ' A' ' 18' ' ' VAL . . . -104.0 -39.17 6.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.86 -1.15 . . . . 0.0 110.342 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.61 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -47.48 -51.04 46.68 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.528 -0.733 . . . . 0.0 111.005 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 38.3 Cg_endo -66.49 -30.57 43.42 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.163 1.086 . . . . 0.0 109.976 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tt -70.9 -45.48 64.25 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.78 -35.17 70.44 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.14 -51.27 66.99 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.644 0.735 . . . . 0.0 109.028 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.26 -39.06 82.31 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.874 . . . . 0.0 109.166 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -30.58 45.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 C-N-CA 119.923 -0.711 . . . . 0.0 109.782 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.83 34.54 5.58 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 42.41 39.49 1.53 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.806 -0.82 . . . . 0.0 110.801 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.57 -52.75 46.64 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 36' ' ' VAL . 5.9 t -59.95 -42.75 90.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.323 -1.104 . . . . 0.0 108.541 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.6 -47.02 85.74 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.62 0.724 . . . . 0.0 109.212 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -61.53 -42.74 99.27 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.739 -0.784 . . . . 0.0 109.106 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.65 -32.97 74.87 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.363 -0.835 . . . . 0.0 109.467 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.18 -35.82 82.05 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.411 -0.806 . . . . 0.0 109.271 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.54 97.77 2.34 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.726 -1.749 . . . . 0.0 108.726 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.67 60.18 1.64 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.375 -1.073 . . . . 0.0 109.669 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -131.7 -164.5 1.46 Allowed 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.276 -0.89 . . . . 0.0 109.585 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -146.23 173.92 11.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.179 -0.951 . . . . 0.0 108.996 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -110.89 -40.55 4.49 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.432 -0.792 . . . . 0.0 109.396 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.54 0 CA-C-O 117.272 -1.347 . . . . 0.0 108.065 179.602 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.88 -54.14 0.59 Allowed Glycine 0 N--CA 1.488 2.106 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -43.96 -43.6 6.66 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.631 -0.923 . . . . 0.0 110.478 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -49.21 -43.86 42.82 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.473 -0.767 . . . . 0.0 110.511 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -69.32 -39.22 78.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.032 -1.042 . . . . 0.0 108.895 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.83 -43.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -38.86 77.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.308 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -58.82 -48.43 81.33 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.22 99.33 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.309 -0.87 . . . . 0.0 109.197 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.76 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -62.61 -39.57 85.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 C-N-CA 119.686 -0.806 . . . . 0.0 109.269 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.56 -29.98 70.36 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.776 -1.202 . . . . 0.0 108.775 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 11' ' ' ARG . 5.1 mtm180 -81.94 -47.0 13.26 Favored 'General case' 0 C--N 1.304 -1.404 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.664 179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 10' ' ' ILE . 10.7 tp -67.18 -28.72 43.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.693 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.895 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -76.01 -19.85 58.33 Favored 'General case' 0 C--O 1.2 -1.549 0 O-C-N 121.088 -1.008 . . . . 0.0 111.098 -179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 70.5 t -39.04 -56.73 2.38 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.293 -0.879 . . . . 0.0 111.302 -178.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.594 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.9 Cg_endo -68.06 -38.88 11.74 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 O-C-N 122.884 0.939 . . . . 0.0 110.258 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 17' ' ' VAL . 11.9 t -61.56 -36.6 74.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.182 -0.949 . . . . 0.0 109.103 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 14' ' ' ALA . 40.8 t -60.07 -53.84 43.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.411 -0.806 . . . . 0.0 108.982 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.608 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -51.13 -35.18 34.2 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.034 . . . . 0.0 110.502 179.412 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -89.9 -21.71 22.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.14 -0.975 . . . . 0.0 111.433 -179.233 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 20' ' ' THR . 3.6 mp -121.47 29.13 7.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.491 -1.381 . . . . 0.0 110.878 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -143.76 122.05 7.03 Favored Pre-proline 0 C--N 1.298 -1.646 0 O-C-N 120.756 -1.215 . . . . 0.0 108.971 179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 35.3 Cg_endo -61.15 -28.4 85.39 Favored 'Trans proline' 0 C--N 1.298 -2.102 0 O-C-N 124.239 1.652 . . . . 0.0 113.301 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.645 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 47.1 Cg_endo -86.56 -9.0 7.0 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 CA-C-N 118.906 0.645 . . . . 0.0 110.551 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.589 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.05 -19.34 13.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.853 -1.154 . . . . 0.0 110.797 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.693 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -93.46 -5.65 0.11 Allowed Pre-proline 0 C--N 1.302 -1.466 0 O-C-N 120.87 -1.144 . . . . 0.0 113.514 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.693 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 42.5 Cg_endo -73.48 -25.22 15.43 Favored 'Trans proline' 0 C--N 1.318 -1.043 0 N-CA-C 109.721 -0.915 . . . . 0.0 109.721 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.13 -35.74 81.76 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 119.033 -1.067 . . . . 0.0 108.726 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.629 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -54.9 -38.04 67.1 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 178.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.8 t60 -58.86 -48.63 80.7 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.625 0.726 . . . . 0.0 109.211 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.1 65.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.84 -0.538 . . . . 0.0 110.714 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.629 HG13 ' HA ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.82 -13.9 15.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 O-C-N 121.029 -1.044 . . . . 0.0 110.139 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.06 -24.2 8.36 Favored Glycine 0 N--CA 1.48 1.577 0 N-CA-C 108.561 -1.816 . . . . 0.0 108.561 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -51.86 -44.14 63.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.51 -0.994 . . . . 0.0 109.443 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' HA3' ' CD2' ' A' ' 30' ' ' HIS . . . -63.83 -43.46 97.6 Favored Glycine 0 N--CA 1.482 1.709 0 N-CA-C 108.675 -1.77 . . . . 0.0 108.675 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.88 -41.97 94.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.223 -1.163 . . . . 0.0 108.792 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.45 -41.16 96.7 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.403 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.66 -33.49 76.01 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 119.604 -0.839 . . . . 0.0 110.072 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.82 -25.99 23.05 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.128 -0.983 . . . . 0.0 110.482 -179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mp -131.97 -63.59 0.81 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.023 -1.048 . . . . 0.0 110.162 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.26 115.87 1.75 Allowed Glycine 0 C--N 1.295 -1.733 0 N-CA-C 108.233 -1.947 . . . . 0.0 108.233 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -112.37 38.81 2.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.251 -1.146 . . . . 0.0 109.381 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -76.09 65.39 2.09 Favored 'General case' 0 C--N 1.295 -1.762 0 O-C-N 121.261 -0.899 . . . . 0.0 109.523 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.04 94.15 0.63 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.326 -0.859 . . . . 0.0 109.536 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.57 27.27 9.78 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.515 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.456 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 p90 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.11 59.13 7.2 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 67.41 -50.24 0.5 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 122.078 -0.66 . . . . 0.0 111.814 179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -42.51 -39.41 2.26 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.648 -0.658 . . . . 0.0 110.858 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.554 ' HA ' ' NH2' ' A' ' 8' ' ' ARG . 26.5 m-20 -56.47 -48.38 77.22 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.301 -0.875 . . . . 0.0 109.236 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -35.55 35.83 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -58.09 -43.35 85.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.107 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' NH2' ' HA ' ' A' ' 5' ' ' ASP . 9.7 mtp180 -65.83 -42.21 90.81 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.053 -1.059 . . . . 0.0 108.924 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.32 90.02 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.048 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.934 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -71.36 -30.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.195 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -55.76 -36.46 67.34 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.004 -1.06 . . . . 0.0 108.905 179.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HA ' HG23 ' A' ' 15' ' ' VAL . 25.3 mtp180 -82.56 -48.42 11.01 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.146 -0.971 . . . . 0.0 110.586 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.934 HG22 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -67.47 -26.65 36.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 120.85 -1.156 . . . . 0.0 110.056 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.615 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -90.0 2.36 55.25 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 120.943 -1.098 . . . . 0.0 110.451 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 11.1 t -43.73 -50.39 18.39 Favored Pre-proline 0 N--CA 1.489 1.511 0 O-C-N 121.092 -1.005 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 40.1 Cg_endo -70.27 -39.91 5.05 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 O-C-N 122.904 0.95 . . . . 0.0 110.168 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 ' H ' HG23 ' A' ' 17' ' ' VAL . 15.5 t -61.87 -45.48 98.61 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 121.028 -1.045 . . . . 0.0 108.889 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 14' ' ' ALA . 64.5 t -58.01 -49.77 80.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.351 -0.843 . . . . 0.0 109.371 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -57.09 -25.67 59.14 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.201 -0.937 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 -15.69 15.17 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 120.754 -1.216 . . . . 0.0 111.485 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.8 mm? -108.84 -27.98 9.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.591 -1.318 . . . . 0.0 110.895 -179.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 7.4 m-85 -84.14 112.52 41.71 Favored Pre-proline 0 C--N 1.298 -1.637 0 O-C-N 120.892 -1.13 . . . . 0.0 109.616 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.606 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.0 Cg_endo -62.12 -26.92 78.4 Favored 'Trans proline' 0 C--N 1.296 -2.199 0 O-C-N 124.391 1.732 . . . . 0.0 112.918 179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD2' ' C ' ' A' ' 22' ' ' PHE . 45.8 Cg_endo -82.27 -14.05 9.68 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 CA-C-N 118.995 0.677 . . . . 0.0 110.53 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.618 ' C ' ' HD2' ' A' ' 27' ' ' PRO . . . -108.31 -20.14 13.23 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.906 -1.121 . . . . 0.0 110.571 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -95.6 3.57 0.07 OUTLIER Pre-proline 0 C--N 1.302 -1.474 0 O-C-N 120.917 -1.115 . . . . 0.0 113.332 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.694 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 43.4 Cg_endo -75.99 -26.28 9.55 Favored 'Trans proline' 0 C--N 1.32 -0.97 0 N-CA-C 109.277 -1.086 . . . . 0.0 109.277 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -66.87 -26.98 67.16 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 118.782 -1.167 . . . . 0.0 108.734 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.926 ' N ' HD13 ' A' ' 28' ' ' LEU . . . -66.33 -33.63 76.16 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 1.5 t60 -58.26 -56.99 14.95 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.68 -43.38 17.69 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 121.372 0.606 . . . . 0.0 109.864 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -44.04 98.67 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.499 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' VAL . . . -66.16 -39.09 94.43 Favored Glycine 0 N--CA 1.481 1.669 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' HIS . 76.7 mt-10 -56.98 -23.94 49.72 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.299 -1.118 . . . . 0.0 110.162 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.53 -46.28 81.69 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 37' ' ' ASP . 1.1 p -67.82 -41.03 84.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.009 -1.289 . . . . 0.0 108.67 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.4 OUTLIER -59.76 -38.81 82.84 Favored 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.9 t80 -55.99 -55.56 31.26 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -37.66 72.74 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.546 -0.861 . . . . 0.0 109.391 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -64.26 -24.25 67.59 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.426 -0.796 . . . . 0.0 109.798 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.75 56.8 4.53 Favored Glycine 0 N--CA 1.484 1.866 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 t70 53.53 29.89 9.81 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.889 -0.771 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 7.7 mm-40 -117.4 51.46 1.03 Allowed 'General case' 0 C--N 1.3 -1.566 0 O-C-N 120.923 -1.111 . . . . 0.0 109.286 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -141.34 175.69 9.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.228 -0.92 . . . . 0.0 109.081 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.55 30.42 2.35 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.404 -0.81 . . . . 0.0 109.291 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 CA-C-O 117.152 -1.404 . . . . 0.0 108.114 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.517 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 84.4 m-85 . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -132.52 41.01 1.54 Allowed Glycine 0 N--CA 1.487 2.081 0 N-CA-C 108.366 -1.894 . . . . 0.0 108.366 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 1' ' ' PHE . 23.7 m-85 -50.11 -43.77 51.84 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.612 -0.934 . . . . 0.0 110.449 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -48.09 -48.51 33.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.516 -0.74 . . . . 0.0 110.342 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 8' ' ' ARG . 6.7 t70 -67.28 -39.08 85.97 Favored 'General case' 0 C--N 1.304 -1.405 0 C-N-CA 118.831 -1.148 . . . . 0.0 108.973 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.484 HG13 ' HA ' ' A' ' 3' ' ' PHE . 0.8 OUTLIER -58.49 -37.29 63.57 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -63.03 -40.11 87.78 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.58 179.129 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 1.4 mtp85 -59.6 -47.85 83.96 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.261 -0.899 . . . . 0.0 108.712 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.74 -41.4 95.96 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.127 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.702 ' HA ' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -61.85 -40.74 88.12 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.121 179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -59.57 -36.78 76.88 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.157 -0.964 . . . . 0.0 109.669 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 43.8 mtp180 -79.95 -43.42 22.12 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 119.405 -0.918 . . . . 0.0 109.996 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -70.04 -24.62 26.52 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.117 -0.989 . . . . 0.0 109.811 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.35 -25.61 46.44 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.915 -1.115 . . . . 0.0 110.843 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 11' ' ' ARG . 62.6 t -46.7 -53.14 27.13 Favored Pre-proline 0 N--CA 1.489 1.485 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.779 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 40.5 Cg_endo -68.53 -44.99 2.74 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 122.729 0.857 . . . . 0.0 110.735 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 t -58.66 -46.36 90.38 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 O-C-N 120.939 -1.101 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 14' ' ' ALA . 98.3 t -60.84 -48.01 90.75 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 121.365 -0.834 . . . . 0.0 109.162 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.8 m -58.9 -20.17 49.04 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.257 -0.902 . . . . 0.0 110.896 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -107.37 -18.94 13.73 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.717 -1.239 . . . . 0.0 110.669 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.6 mm? -105.85 -13.32 15.56 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.66 -1.275 . . . . 0.0 111.192 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.0 m-85 -91.14 106.57 16.5 Favored Pre-proline 0 C--N 1.303 -1.413 0 O-C-N 120.617 -1.302 . . . . 0.0 109.854 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.6 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 36.6 Cg_endo -62.4 -26.48 76.74 Favored 'Trans proline' 0 C--N 1.299 -2.076 0 O-C-N 124.218 1.641 . . . . 0.0 112.932 179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 48.1 Cg_endo -87.45 20.62 1.17 Allowed 'Trans proline' 0 C--N 1.316 -1.141 0 N-CA-C 110.419 -0.647 . . . . 0.0 110.419 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.27 -47.67 0.09 Allowed 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.86 -1.15 . . . . 0.0 110.39 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.69 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -48.76 -54.82 23.81 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.652 -0.655 . . . . 0.0 111.148 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 40.9 Cg_endo -69.08 -29.14 27.6 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 O-C-N 123.082 1.043 . . . . 0.0 110.282 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.67 -45.33 62.27 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 118.788 -1.165 . . . . 0.0 108.478 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -38.06 71.89 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.46 -51.56 66.53 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.91 0.862 . . . . 0.0 109.146 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.635 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -59.91 -39.13 84.36 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.597 -0.689 . . . . 0.0 110.211 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -35.96 31.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.674 0 C-N-CA 119.524 -0.871 . . . . 0.0 110.237 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.57 -53.37 44.11 Favored Glycine 0 N--CA 1.481 1.695 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.35 24.56 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.86 -0.788 . . . . 0.0 110.104 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 31' ' ' ALA . . . -81.84 -57.32 2.73 Favored Glycine 0 C--N 1.297 -1.614 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 31' ' ' ALA . 13.1 m -54.86 -39.5 48.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.36 -1.083 . . . . 0.0 109.458 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.52 -47.19 87.25 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.062 -1.024 . . . . 0.0 108.833 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.581 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.14 -50.24 74.8 Favored 'General case' 0 C--N 1.297 -1.674 0 C-N-CA 119.844 -0.742 . . . . 0.0 110.05 179.742 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.821 ' C ' HD12 ' A' ' 39' ' ' LEU . 3.9 pp -75.69 -13.15 60.31 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.443 -0.786 . . . . 0.0 110.959 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.754 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -67.18 -43.02 83.25 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 120.801 -1.187 . . . . 0.0 108.706 179.552 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.97 51.6 0.02 OUTLIER Glycine 0 N--CA 1.482 1.762 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 37.5 t0 -115.1 33.42 5.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.429 -1.042 . . . . 0.0 109.759 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -77.87 54.51 1.28 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.986 -1.071 . . . . 0.0 109.423 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.17 -48.18 2.64 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.341 -0.849 . . . . 0.0 109.007 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -141.07 38.79 1.77 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.556 -0.715 . . . . 0.0 109.071 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 0 CA-C-O 117.409 -1.282 . . . . 0.0 108.577 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.0 t80 . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.56 -80.97 0.35 Allowed Glycine 0 N--CA 1.482 1.74 0 N-CA-C 108.145 -1.982 . . . . 0.0 108.145 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -174.53 -61.1 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.481 -1.011 . . . . 0.0 109.556 179.029 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 7' ' ' ILE . 12.8 mmtp -51.39 -43.5 61.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 109.799 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 8' ' ' ARG . 9.0 p-10 -60.74 -30.55 70.06 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 119.903 -0.719 . . . . 0.0 109.744 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.28 -38.7 16.71 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 4' ' ' LYS . 98.2 mt -59.18 -46.89 91.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.029 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -66.78 -34.4 77.74 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 118.735 -1.186 . . . . 0.0 108.927 179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.438 ' N ' ' HD3' ' A' ' 8' ' ' ARG . . . -64.33 -47.55 78.99 Favored 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 119.348 -0.941 . . . . 0.0 108.719 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.823 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -68.97 -32.35 54.13 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.639 179.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 15' ' ' VAL . 19.9 tpp85 -60.78 -37.0 80.41 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.096 -1.002 . . . . 0.0 109.404 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -83.3 -37.07 23.93 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.227 -0.921 . . . . 0.0 110.598 -179.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.823 HG22 ' HA ' ' A' ' 10' ' ' ILE . 11.2 tp -76.55 -30.68 19.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.877 -1.139 . . . . 0.0 109.616 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -87.0 -1.56 57.96 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.085 -1.01 . . . . 0.0 110.794 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.7 t -44.1 -52.76 15.08 Favored Pre-proline 0 N--CA 1.49 1.534 0 C-N-CA 119.288 -0.965 . . . . 0.0 110.842 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 44.1 Cg_endo -73.5 -36.35 3.99 Favored 'Trans proline' 0 C--N 1.314 -1.244 0 O-C-N 123.31 1.163 . . . . 0.0 110.621 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG12 HD11 ' A' ' 21' ' ' LEU . 10.8 t -63.01 -41.45 92.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.843 -1.161 . . . . 0.0 108.394 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 14' ' ' ALA . 72.5 t -57.69 -44.21 85.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.805 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -54.21 -49.25 69.85 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.226 -0.921 . . . . 0.0 109.405 179.353 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.173 -0.955 . . . . 0.0 110.444 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD11 HG12 ' A' ' 17' ' ' VAL . 81.3 mt -77.72 -24.0 49.28 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.095 -1.003 . . . . 0.0 110.365 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 4.2 m-85 -97.82 107.22 38.91 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 120.998 -1.064 . . . . 0.0 109.981 -179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.617 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 35.0 Cg_endo -61.05 -26.84 83.64 Favored 'Trans proline' 0 C--N 1.297 -2.16 0 O-C-N 123.916 1.482 . . . . 0.0 112.437 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 23' ' ' PRO . 46.2 Cg_endo -86.36 0.53 8.03 Favored 'Trans proline' 0 C--N 1.317 -1.129 0 N-CA-C 110.302 -0.691 . . . . 0.0 110.302 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.29 19.27 5.85 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.723 -1.235 . . . . 0.0 110.788 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.879 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -131.26 -70.01 0.02 OUTLIER Pre-proline 0 C--N 1.301 -1.508 0 O-C-N 120.986 -1.071 . . . . 0.0 109.62 179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.879 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 39.1 Cg_endo -67.43 -26.6 40.68 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 O-C-N 122.919 0.958 . . . . 0.0 109.715 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 28' ' ' LEU . 10.9 mt -67.3 -35.4 79.38 Favored 'General case' 0 C--N 1.301 -1.514 0 C-N-CA 118.731 -1.188 . . . . 0.0 108.886 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.662 ' HA ' HG13 ' A' ' 32' ' ' ILE . . . -56.44 -33.37 65.79 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CD2' ' HA3' ' A' ' 35' ' ' GLY . 2.1 t-160 -65.23 -42.7 93.16 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.578 0.704 . . . . 0.0 109.176 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.11 69.08 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.252 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.662 HG13 ' HA ' ' A' ' 29' ' ' ALA . 1.4 mm -52.07 -34.58 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 119.306 -0.958 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 34' ' ' GLU . . . -120.79 26.83 6.71 Favored Glycine 0 N--CA 1.482 1.726 0 N-CA-C 108.586 -1.806 . . . . 0.0 108.586 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . 5.6 mm-40 37.32 44.41 0.45 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 122.095 -0.65 . . . . 0.0 111.161 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' O ' HD12 ' A' ' 39' ' ' LEU . . . -61.68 -48.37 84.74 Favored Glycine 0 N--CA 1.48 1.617 0 N-CA-C 108.193 -1.963 . . . . 0.0 108.193 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 37' ' ' ASP . 17.8 m -60.39 -42.99 92.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.215 -1.168 . . . . 0.0 109.542 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.534 ' HB3' ' HB3' ' A' ' 34' ' ' GLU . 26.4 t0 -63.79 -37.91 89.13 Favored 'General case' 0 C--N 1.302 -1.492 0 C-N-CA 119.393 -0.923 . . . . 0.0 109.183 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.42 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 81.5 t80 -53.84 -44.27 70.18 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 119.551 -0.86 . . . . 0.0 108.762 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.1 -37.45 69.53 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 119.556 -0.858 . . . . 0.0 109.107 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' ASP . 4.8 mp -69.72 -20.75 63.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.405 -0.81 . . . . 0.0 109.64 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.26 53.68 13.17 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.99 39.86 15.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 122.057 -0.672 . . . . 0.0 109.649 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 48.38 32.88 3.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.965 -0.459 . . . . 0.0 110.582 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.84 67.27 1.61 Allowed 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.122 -0.986 . . . . 0.0 109.367 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.46 171.62 7.83 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.314 -0.866 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.172 -1.394 . . . . 0.0 108.236 179.457 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.43 -112.59 3.7 Favored Glycine 0 N--CA 1.482 1.763 0 N-CA-C 108.459 -1.856 . . . . 0.0 108.459 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.518 ' O ' HG13 ' A' ' 7' ' ' ILE . 13.4 m-85 -51.38 -41.45 60.7 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.316 -1.108 . . . . 0.0 110.395 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -52.63 -36.68 57.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.333 -0.855 . . . . 0.0 110.144 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.22 -42.63 72.03 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -60.64 -46.82 95.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 3' ' ' PHE . 6.4 mt -59.16 -40.25 80.57 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -47.93 84.15 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.11 95.99 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.469 -0.769 . . . . 0.0 109.258 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.644 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.1 mm -63.83 -41.48 92.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.01 -1.057 . . . . 0.0 109.143 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mtp85 -71.01 -43.07 68.7 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 119.638 -0.825 . . . . 0.0 109.967 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.644 HG22 ' HA ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -71.71 -24.56 23.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.766 -179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.35 -21.36 42.5 Favored 'General case' 0 C--O 1.202 -1.406 0 O-C-N 120.921 -1.112 . . . . 0.0 110.568 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 11' ' ' ARG . 75.4 t -43.48 -52.5 13.38 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.074 -1.016 . . . . 0.0 111.046 -179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 15' ' ' VAL . 39.3 Cg_endo -68.96 -39.77 7.59 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 O-C-N 122.776 0.882 . . . . 0.0 110.334 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 17' ' ' VAL . 14.7 t -62.36 -43.18 97.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 O-C-N 121.066 -1.021 . . . . 0.0 109.199 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 14' ' ' ALA . 59.8 t -60.65 -50.49 80.2 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.78 0 O-C-N 121.396 -0.815 . . . . 0.0 109.368 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.2 m -58.68 -25.8 63.2 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.012 -1.055 . . . . 0.0 111.362 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -100.83 -15.82 17.48 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.728 -1.233 . . . . 0.0 111.801 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 mt -123.35 -34.94 3.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.531 -1.356 . . . . 0.0 111.18 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.544 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.44 118.19 62.08 Favored Pre-proline 0 C--N 1.296 -1.727 0 O-C-N 120.907 -1.121 . . . . 0.0 109.454 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.88 -27.25 74.79 Favored 'Trans proline' 0 C--N 1.294 -2.333 0 O-C-N 124.487 1.783 . . . . 0.0 112.955 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.585 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 44.9 Cg_endo -84.14 53.7 4.06 Favored 'Trans proline' 0 C--N 1.314 -1.239 0 N-CA-C 110.069 -0.781 . . . . 0.0 110.069 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' H ' ' HD2' ' A' ' 27' ' ' PRO . . . -177.16 -63.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.297 -0.877 . . . . 0.0 110.789 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.62 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -47.45 -47.2 59.27 Favored Pre-proline 0 N--CA 1.499 1.995 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -60.37 -19.16 57.07 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 O-C-N 122.684 0.834 . . . . 0.0 111.716 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.05 -41.55 81.88 Favored 'General case' 0 C--N 1.299 -1.588 0 C-N-CA 118.079 -1.448 . . . . 0.0 107.595 178.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.42 -47.35 84.22 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.94 -28.7 66.5 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.021 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -100.68 32.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.51 -0.744 . . . . 0.0 109.379 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.48 24.38 5.86 Favored Glycine 0 N--CA 1.482 1.73 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -69.12 -42.33 76.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.006 -1.291 . . . . 0.0 108.458 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.33 -37.25 59.31 Favored Glycine 0 N--CA 1.483 1.772 0 N-CA-C 108.322 -1.911 . . . . 0.0 108.322 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.25 -45.47 93.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.11 -47.47 78.01 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.463 ' CD1' ' HB3' ' A' ' 42' ' ' ASP . 23.5 t80 -62.35 -42.23 99.23 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.464 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.12 -30.15 71.06 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.163 -0.96 . . . . 0.0 109.369 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 40' ' ' LEU . 2.6 mp -73.29 -30.01 63.1 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.259 -0.9 . . . . 0.0 109.623 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -97.11 0.11 Allowed Glycine 0 N--CA 1.48 1.623 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . 12.6 t0 50.14 35.37 10.05 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.644 -0.915 . . . . 0.0 109.73 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.99 -155.94 0.62 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.75 103.19 0.1 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.611 -0.835 . . . . 0.0 109.229 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -131.61 -47.45 0.97 Allowed 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.589 -0.694 . . . . 0.0 109.281 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 CA-C-O 117.392 -1.29 . . . . 0.0 108.439 179.635 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.6 t80 . . . . . 0 N--CA 1.487 1.377 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 4' ' ' LYS . . . 93.82 -64.95 1.74 Allowed Glycine 0 N--CA 1.485 1.952 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -48.81 -24.89 1.59 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 122.211 -0.582 . . . . 0.0 111.479 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HE2' ' HB2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -44.04 -32.35 1.15 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.439 -0.788 . . . . 0.0 110.983 -179.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.577 ' HB2' ' HE2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -71.79 -43.02 66.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.83 -1.169 . . . . 0.0 108.979 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.02 -37.83 81.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.49 HG13 ' HA ' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -55.58 -40.8 61.13 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 179.226 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -60.78 -46.79 89.13 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 119.19 -1.004 . . . . 0.0 108.303 178.709 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.79 88.07 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.06 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 ' HA ' HG22 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.55 -37.03 78.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 119.276 -0.97 . . . . 0.0 108.576 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -66.99 -36.0 81.2 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.821 -1.175 . . . . 0.0 107.967 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.499 ' HA ' HG23 ' A' ' 15' ' ' VAL . 0.9 OUTLIER -70.94 -37.88 72.87 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.421 -0.799 . . . . 0.0 109.94 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.682 HG22 ' HA ' ' A' ' 10' ' ' ILE . 6.3 tp -79.58 -31.41 14.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.668 0 C-N-CA 119.148 -1.021 . . . . 0.0 108.532 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.718 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -82.83 -0.9 50.2 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.332 -0.855 . . . . 0.0 109.714 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.9 t -36.94 -50.93 2.12 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.606 -0.684 . . . . 0.0 111.184 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 15' ' ' VAL . 37.4 Cg_endo -65.99 -46.08 5.18 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 O-C-N 122.947 0.972 . . . . 0.0 110.425 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' H ' HG23 ' A' ' 17' ' ' VAL . 4.0 t -64.23 -31.44 53.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.389 -0.819 . . . . 0.0 109.333 179.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 14' ' ' ALA . 99.7 t -62.97 -47.77 91.18 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.0 -26.9 64.93 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.58 -0.7 . . . . 0.0 110.302 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -27.73 16.42 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.677 -1.264 . . . . 0.0 111.48 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.7 mm? -100.38 -34.72 9.85 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.919 -1.113 . . . . 0.0 111.406 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' C ' ' HD2' ' A' ' 24' ' ' PRO . 21.9 m-85 -81.44 115.37 56.22 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 120.904 -1.123 . . . . 0.0 109.474 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.609 ' HG2' ' HD3' ' A' ' 24' ' ' PRO . 36.3 Cg_endo -62.73 -27.79 75.92 Favored 'Trans proline' 0 C--N 1.295 -2.275 0 O-C-N 124.445 1.76 . . . . 0.0 113.221 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.609 ' HD3' ' HG2' ' A' ' 23' ' ' PRO . 43.3 Cg_endo -78.06 -46.51 0.12 Allowed 'Trans proline' 0 C--N 1.317 -1.084 0 N-CA-C 110.179 -0.739 . . . . 0.0 110.179 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.94 63.99 6.43 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.121 -0.987 . . . . 0.0 109.559 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -159.0 -62.11 0.02 OUTLIER Pre-proline 0 C--N 1.298 -1.631 0 O-C-N 121.319 -0.863 . . . . 0.0 110.528 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 37.6 Cg_endo -64.25 -26.13 64.46 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 O-C-N 123.178 1.094 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.21 -48.66 61.4 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 118.527 -1.269 . . . . 0.0 108.059 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.43 74.14 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 106.452 -1.685 . . . . 0.0 106.452 177.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.634 ' HB2' ' HA ' ' A' ' 27' ' ' PRO . 1.6 t60 -55.51 -55.31 33.37 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.197 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HA ' ' HB2' ' A' ' 34' ' ' GLU . . . -49.29 -40.91 36.5 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.154 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.54 -37.96 72.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.204 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 36' ' ' VAL . . . -87.72 -26.07 30.71 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.489 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 67.9 mt-10 -61.25 -9.7 5.49 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.103 -1.234 . . . . 0.0 111.207 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.97 -51.41 34.8 Favored Glycine 0 N--CA 1.484 1.872 0 N-CA-C 108.856 -1.697 . . . . 0.0 108.856 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 33' ' ' GLY . 22.2 m -60.98 -41.4 88.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.008 -1.29 . . . . 0.0 109.181 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 36' ' ' VAL . 7.4 t70 -60.0 -40.74 90.26 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.982 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -54.51 -38.15 66.17 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.489 -0.757 . . . . 0.0 109.3 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.95 -9.44 48.78 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 119.482 -0.887 . . . . 0.0 110.638 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -105.14 -30.23 9.85 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.933 -1.104 . . . . 0.0 110.39 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 55.67 4.14 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -85.33 83.15 8.05 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.066 -1.255 . . . . 0.0 109.023 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 2.8 pm0 -78.27 45.37 0.55 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.265 -0.897 . . . . 0.0 110.559 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.53 3.66 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 120.755 -1.216 . . . . 0.0 109.41 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 43' ' ' GLU . 18.9 mt-30 -121.05 159.74 25.07 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.337 -0.852 . . . . 0.0 109.523 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 CA-C-O 117.308 -1.33 . . . . 0.0 108.5 179.701 . . . . . . . . 0 0 . 1 stop_ save_