data_5h1i_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 5h1i _Structure_validation_residue.Date_analyzed 2017-04-14 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 full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 64.14 127.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.951 0.901 . . . . 0.0 111.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -130.02 155.72 80.23 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -41.28 -46.98 5.55 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.739 2.959 . . . . 0.0 115.604 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.97 136.96 15.25 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.13 1.887 . . . . 0.0 112.571 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.7 47.65 1.4 Allowed Glycine 0 C--N 1.338 0.651 0 O-C-N 123.641 0.588 . . . . 0.0 112.899 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.88 -23.65 1.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.432 0.293 . . . . 0.0 111.471 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.3 t -132.49 46.94 2.39 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' SER . 6.3 Cg_exo -75.82 113.44 3.73 Favored 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 121.852 1.701 . . . . 0.0 112.977 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.15 -178.94 5.5 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.404 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.52 108.05 9.94 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.086 0.47 . . . . 0.0 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -113.07 171.86 7.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.586 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.1 mttt 62.52 98.3 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.345 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -79.22 -14.16 59.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.906 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -143.49 92.43 6.59 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -82.24 176.6 36.13 Favored 'Cis proline' 0 C--N 1.374 1.92 0 CA-C-O 118.073 -0.886 . . . . 0.0 111.436 -1.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.551 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 2.5 Cg_endo -84.93 147.79 10.61 Favored 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 121.806 1.671 . . . . 0.0 113.384 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 17' ' ' PRO . 45.0 mm . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 64.49 97.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.854 0.862 . . . . 0.0 111.554 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -132.57 111.68 13.79 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.28 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.04 -43.97 48.89 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.853 2.369 . . . . 0.0 115.049 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.45 101.92 1.13 Allowed 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.029 1.819 . . . . 0.0 113.099 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.97 -98.18 0.13 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.115 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -151.27 -57.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.868 0.467 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 m -146.28 169.97 8.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -84.42 107.02 1.17 Allowed 'Trans proline' 0 C--N 1.388 2.643 0 C-N-CA 121.7 1.6 . . . . 0.0 112.862 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -141.23 150.58 42.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -131.71 171.35 13.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 23.8 p -74.08 165.89 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.389 0.676 . . . . 0.0 111.83 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -105.2 62.85 0.69 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 111.054 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -128.62 -48.25 1.27 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.11 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.715 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -136.38 -54.79 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.469 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.715 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 17.9 Cg_endo -95.06 178.49 9.52 Favored 'Cis proline' 0 C--N 1.379 2.151 0 CA-C-N 120.057 1.056 . . . . 0.0 112.805 -0.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' O ' HD11 ' A' ' 18' ' ' ILE . 1.2 Cg_endo -87.08 -37.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 121.987 1.792 . . . . 0.0 113.134 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD11 ' O ' ' A' ' 17' ' ' PRO . 44.7 mm . . . . . 0 N--CA 1.465 0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.119 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.788 0.328 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 57.84 107.0 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.029 0.932 . . . . 0.0 112.159 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.462 ' CZ ' HG23 ' A' ' 18' ' ' ILE . 78.9 mtt180 -136.87 -48.19 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.245 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.25 119.14 3.76 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.246 1.964 . . . . 0.0 112.915 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.04 127.89 14.15 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.487 2.125 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.3 25.98 24.73 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.972 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -134.71 175.42 9.56 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 122.701 0.401 . . . . 0.0 110.734 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -76.27 169.73 19.48 Favored Pre-proline 0 CA--C 1.557 1.217 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -83.25 127.34 4.53 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 121.775 1.65 . . . . 0.0 113.288 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.04 152.76 51.99 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.307 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.87 120.53 25.08 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.025 0.441 . . . . 0.0 111.372 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.98 164.79 13.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.153 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 62.84 97.31 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.535 0.734 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 p -58.08 -29.95 65.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.903 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -148.93 113.52 3.64 Favored Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.314 0.384 . . . . 0.0 111.246 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.89 176.7 42.83 Favored 'Cis proline' 0 C--N 1.377 2.036 0 C-N-CA 124.857 -0.893 . . . . 0.0 111.504 -0.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' O ' HD12 ' A' ' 18' ' ' ILE . 4.1 Cg_exo -84.13 135.32 6.36 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 121.847 1.698 . . . . 0.0 113.325 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 3' ' ' ARG . 43.4 mm . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.313 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.454 ' H ' HG13 ' A' ' 18' ' ' ILE . 36.4 t . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.2 139.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.057 0.943 . . . . 0.0 111.235 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.77 159.35 70.24 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.021 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.84 168.05 3.67 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.674 2.25 . . . . 0.0 113.126 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.65 150.61 51.82 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.681 2.254 . . . . 0.0 113.51 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.26 -31.59 4.19 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.636 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -129.87 170.17 14.25 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.625 0.37 . . . . 0.0 110.635 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.0 p -76.16 170.01 18.05 Favored Pre-proline 0 CA--C 1.559 1.299 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.714 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -82.47 122.06 3.52 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.682 1.588 . . . . 0.0 113.16 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.74 129.83 28.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.5 m -129.93 150.66 51.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.7 p -90.35 -77.81 0.39 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -149.44 23.01 0.92 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m 69.18 -68.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.269 1.028 . . . . 0.0 111.481 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' C ' ' A' ' 16' ' ' PRO . 2.7 pp -146.69 148.03 32.07 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.669 0.606 . . . . 0.0 110.32 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.54 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 47.8 Cg_exo -59.37 -33.2 1.2 Allowed 'Cis proline' 0 C--N 1.374 1.886 0 N-CA-C 116.644 1.748 . . . . 0.0 116.644 -0.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 18.0 Cg_endo -57.33 -148.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 122.602 2.201 . . . . 0.0 114.059 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.454 HG13 ' H ' ' A' ' 1' ' ' CYS . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.424 0.631 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -140.07 142.08 36.17 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.791 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 8' ' ' SER . 5.0 ppt_? -139.91 159.37 64.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.38 167.71 26.11 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.573 2.182 . . . . 0.0 112.329 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.06 134.19 36.02 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.386 2.057 . . . . 0.0 112.936 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.53 0.14 27.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.12 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.75 164.81 24.28 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.513 0.325 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 37.2 m -84.18 169.22 17.59 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.61 137.21 12.75 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.859 1.706 . . . . 0.0 113.158 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tp -131.13 112.58 12.99 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.687 0.617 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m -137.17 137.19 38.91 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -98.11 -56.41 2.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.325 0.39 . . . . 0.0 111.964 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -140.92 3.63 1.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m 72.9 -46.64 0.65 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.463 1.105 . . . . 0.0 112.417 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.524 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -141.86 129.38 11.61 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.415 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.639 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 37.9 Cg_endo -98.85 20.79 24.47 Favored 'Cis proline' 0 CA--C 1.573 2.446 0 N-CA-C 117.122 1.931 . . . . 0.0 117.122 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 2.7 Cg_exo -76.85 -128.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.437 0 CA-C-N 122.188 1.817 . . . . 0.0 112.329 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 17' ' ' PRO . 48.4 mm . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.253 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.494 ' H ' HG13 ' A' ' 18' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 111.353 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.29 111.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.951 0.9 . . . . 0.0 111.317 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.0 -50.8 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.358 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.549 ' HG2' ' O ' ' A' ' 8' ' ' SER . 4.1 Cg_exo -76.63 153.22 34.04 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.207 1.938 . . . . 0.0 112.922 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.75 -20.68 39.65 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.621 2.214 . . . . 0.0 113.366 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.76 63.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -130.03 -54.54 1.12 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.626 0.25 . . . . 0.0 110.9 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' ' 4' ' ' PRO . 75.5 m -145.69 166.37 17.68 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.369 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -94.32 123.53 0.41 Allowed 'Trans proline' 0 C--N 1.384 2.442 0 C-N-CA 121.996 1.798 . . . . 0.0 113.447 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -143.32 130.13 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.88 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . 17.2 m -129.82 68.11 1.44 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.847 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.51 152.14 15.9 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.86 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -126.88 -64.37 1.02 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.912 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t -161.31 -68.6 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.93 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -177.67 125.75 0.28 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 109.665 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.85 -174.01 11.81 Favored 'Cis proline' 0 C--N 1.373 1.842 0 CA-C-N 119.467 0.845 . . . . 0.0 112.034 -0.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.48 157.77 52.32 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.987 1.791 . . . . 0.0 112.747 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG13 ' H ' ' A' ' 1' ' ' CYS . 1.4 tp . . . . . 0 CA--C 1.549 0.932 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.241 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -95.18 137.07 34.73 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.081 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.489 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 96.4 mtt180 -129.9 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.201 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.489 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 4.0 Cg_exo -79.24 171.94 15.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.409 2.072 . . . . 0.0 112.158 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.55 -15.61 42.54 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.575 2.183 . . . . 0.0 114.094 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.42 79.43 0.08 OUTLIER Glycine 0 C--N 1.338 0.682 0 O-C-N 123.368 0.417 . . . . 0.0 112.791 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.4 -37.97 0.55 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.278 0.231 . . . . 0.0 111.464 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -133.3 51.59 7.11 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.27 110.7 0.64 Allowed 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.137 1.892 . . . . 0.0 113.599 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -149.48 173.18 13.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.67 149.87 51.24 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.273 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 2.4 p -98.59 -68.95 0.78 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.407 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -151.96 2.72 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.682 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m 72.52 -44.57 0.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.815 1.246 . . . . 0.0 113.117 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -154.35 132.3 6.53 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.282 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.529 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 32.1 Cg_exo -63.32 -32.98 2.28 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 116.922 1.855 . . . . 0.0 116.922 -0.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 16.1 Cg_endo -55.67 -163.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.771 2.314 . . . . 0.0 114.773 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.38 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.674 0.273 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 65.31 109.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.082 0.953 . . . . 0.0 111.648 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.69 159.86 70.06 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.764 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.41 166.33 4.76 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.548 2.166 . . . . 0.0 113.052 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.17 131.63 35.37 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.489 2.126 . . . . 0.0 113.247 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.98 -93.16 0.17 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.32 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.98 -51.04 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.234 0.214 . . . . 0.0 110.698 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.9 p -143.85 169.08 11.01 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.266 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -84.86 139.63 7.55 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.784 1.656 . . . . 0.0 112.749 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -133.95 141.24 47.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.02 53.03 1.96 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 123.553 0.533 . . . . 0.0 111.384 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 146.84 23.38 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -138.89 -71.82 0.4 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.691 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 m -159.14 -73.65 0.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.192 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -177.36 126.66 0.29 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.668 0.787 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -72.24 -173.16 9.98 Favored 'Cis proline' 0 C--N 1.372 1.809 0 CA-C-N 119.568 0.881 . . . . 0.0 112.335 -0.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.94 158.86 55.32 Favored 'Trans proline' 0 C--N 1.392 2.857 0 C-N-CA 121.78 1.653 . . . . 0.0 112.778 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.986 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.89 0.376 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 62.45 91.49 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.045 0.938 . . . . 0.0 111.665 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 15.6 ttt180 -141.53 -49.02 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.665 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 5.9 Cg_exo -79.97 166.72 20.81 Favored 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 122.42 2.08 . . . . 0.0 112.784 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.68 -30.09 6.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.563 2.176 . . . . 0.0 113.29 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.67 46.16 0.02 OUTLIER Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -135.61 -31.11 0.97 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.444 0.298 . . . . 0.0 111.21 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.489 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -133.15 46.92 2.32 Favored Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HD3' ' N ' ' A' ' 8' ' ' SER . 21.3 Cg_exo -67.13 120.91 8.01 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 121.861 1.707 . . . . 0.0 113.491 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -138.02 166.34 24.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.901 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.66 28.94 5.09 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.36 152.19 23.66 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -134.65 -63.88 0.69 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.691 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -158.68 -74.12 0.08 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.985 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.34 123.75 0.25 Allowed Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 123.774 0.83 . . . . 0.0 109.817 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.72 -174.38 12.29 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.528 0.867 . . . . 0.0 112.026 0.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.14 158.58 48.94 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 121.913 1.742 . . . . 0.0 112.875 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 C--O 1.223 -0.302 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.802 -179.556 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 120.754 0.311 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 63.06 83.92 0.15 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.889 0.876 . . . . 0.0 111.665 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -134.52 -52.8 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.4 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.91 116.96 2.54 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.492 2.128 . . . . 0.0 112.708 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.51 126.97 14.87 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.345 2.03 . . . . 0.0 112.773 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.33 -103.78 0.2 Allowed Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.43 -37.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.352 0.261 . . . . 0.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.9 p -124.35 169.49 10.6 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -84.34 150.93 11.98 Favored 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 121.892 1.728 . . . . 0.0 113.108 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.84 142.28 48.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.727 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.2 m -129.84 127.83 41.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' OG1' HG21 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -92.04 172.04 8.7 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.025 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 96.9 mttt -111.63 -24.44 10.09 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -119.83 90.32 3.31 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.137 0.494 . . . . 0.0 111.556 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.861 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -143.98 -32.87 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.79 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.861 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 6.1 Cg_exo -73.6 -177.41 19.34 Favored 'Cis proline' 0 C--N 1.387 2.584 0 CA-C-N 121.826 1.688 . . . . 0.0 112.416 1.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 32.9 Cg_exo -15.63 122.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.406 3.6 0 C-N-CA 124.596 3.531 . . . . 0.0 116.9 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' OG1' ' A' ' 12' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.111 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 63.4 m . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.61 -45.18 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.182 0.593 . . . . 0.0 109.908 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -151.36 161.33 30.01 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.158 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.14 160.7 4.2 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.627 2.218 . . . . 0.0 113.098 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.2 128.87 32.33 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.08 2.52 . . . . 0.0 113.698 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.89 -100.99 0.62 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -134.48 -36.58 0.87 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.561 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 20.2 t -133.65 43.33 0.99 Allowed Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.157 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.8 Cg_exo -79.62 138.42 13.55 Favored 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 121.937 1.758 . . . . 0.0 112.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -101.46 148.05 25.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.3 m -129.81 158.32 39.76 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.342 0.401 . . . . 0.0 111.815 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -84.4 -53.81 5.2 Favored 'General case' 0 C--N 1.344 0.326 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.784 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -142.12 -9.21 0.89 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m 72.95 -43.92 0.58 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.559 1.144 . . . . 0.0 112.78 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -143.03 130.88 11.11 Favored Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 123.479 0.487 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.634 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 26.2 Cg_endo -98.44 16.46 29.14 Favored 'Cis proline' 0 CA--C 1.572 2.376 0 N-CA-C 117.153 1.943 . . . . 0.0 117.153 -0.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.634 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 3.4 Cg_exo -82.09 -133.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 122.563 1.951 . . . . 0.0 112.3 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' H ' ' HB2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.531 ' H ' HG13 ' A' ' 18' ' ' ILE . 41.1 t . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 98.0 mttt 67.82 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.365 1.066 . . . . 0.0 111.847 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -130.0 106.15 16.61 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.22 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.27 -43.99 49.64 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.912 2.408 . . . . 0.0 115.404 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -80.98 107.64 1.95 Allowed 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.963 1.775 . . . . 0.0 113.24 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.31 -97.5 0.12 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.012 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -152.94 -52.17 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.3 m -141.08 170.64 8.96 Favored Pre-proline 0 CA--C 1.551 0.987 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -83.77 123.78 3.34 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.689 1.593 . . . . 0.0 112.974 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -133.83 145.54 49.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.577 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 62.1 m -130.12 150.24 51.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 111.518 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.9 p -90.63 -70.23 0.69 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.519 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -151.97 0.38 0.33 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.8 m 72.43 -46.72 0.65 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.804 1.241 . . . . 0.0 112.749 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -149.45 130.92 7.36 Favored Pre-proline 0 CA--C 1.547 0.857 0 O-C-N 123.585 0.553 . . . . 0.0 109.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.491 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 38.5 Cg_exo -64.53 -31.59 2.94 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 117.085 1.917 . . . . 0.0 117.085 -0.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 35.8 Cg_endo -60.61 -142.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.318 2.012 . . . . 0.0 114.31 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 1' ' ' CYS . 1.1 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 30.5 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -144.26 -38.52 0.3 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.622 0.769 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -151.93 163.11 24.66 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.579 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.2 163.32 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.717 2.278 . . . . 0.0 113.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.46 127.71 27.1 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.8 2.334 . . . . 0.0 114.06 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.41 -107.84 0.47 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.126 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -156.19 -30.27 0.09 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.598 0.359 . . . . 0.0 111.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -92.89 -40.24 0.35 Allowed Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 118.476 -0.773 . . . . 0.0 113.084 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.87 142.83 77.44 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.157 1.905 . . . . 0.0 113.57 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.613 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -97.18 160.17 14.49 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.314 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.66 155.47 45.8 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -87.06 -65.62 1.0 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -150.73 -1.77 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.868 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t 72.56 -40.71 0.48 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.74 1.216 . . . . 0.0 112.838 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.67 132.46 6.15 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.074 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.3 Cg_exo -64.02 -34.68 1.94 Allowed 'Cis proline' 0 C--N 1.376 1.988 0 N-CA-C 116.815 1.814 . . . . 0.0 116.815 -0.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 30.1 Cg_endo -60.06 -163.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 122.327 2.018 . . . . 0.0 114.105 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.683 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.976 0.417 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 63.12 110.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.092 0.957 . . . . 0.0 111.578 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.656 ' H ' ' HD2' ' A' ' 4' ' ' PRO . 97.3 mtt180 -129.97 -52.02 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.109 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.656 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 27.6 Cg_endo -62.58 167.28 11.82 Favored 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 122.092 1.861 . . . . 0.0 113.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.68 -14.87 46.85 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.544 2.162 . . . . 0.0 113.689 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.15 81.5 0.05 OUTLIER Glycine 0 C--N 1.336 0.547 0 O-C-N 123.413 0.446 . . . . 0.0 112.782 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.94 -61.79 0.98 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 110.325 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -152.88 167.23 13.77 Favored Pre-proline 0 CA--C 1.551 1.013 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.284 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -89.86 132.57 2.0 Favored 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 121.886 1.724 . . . . 0.0 112.964 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.0 139.93 45.26 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.87 93.58 3.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.322 0.582 . . . . 0.0 111.159 179.729 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -101.63 156.41 17.51 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.557 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.0 mttt 61.2 97.68 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.214 0.606 . . . . 0.0 110.265 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -89.19 3.78 50.79 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.697 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 tp -139.66 81.61 19.51 Favored Pre-proline 0 CA--C 1.562 1.405 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.59 178.19 31.92 Favored 'Cis proline' 0 C--N 1.375 1.959 0 CA-C-O 117.981 -0.925 . . . . 0.0 111.262 -1.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 5.8 Cg_exo -81.68 141.03 12.04 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 121.735 1.623 . . . . 0.0 113.551 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 mm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.893 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.821 0.343 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.62 112.97 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.161 0.985 . . . . 0.0 112.488 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -136.84 -50.23 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.571 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.63 134.87 4.83 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.306 2.004 . . . . 0.0 112.876 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.37 -5.33 14.9 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.361 2.041 . . . . 0.0 114.297 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.17 31.63 4.83 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.722 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.95 170.81 15.0 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.503 0.321 . . . . 0.0 110.969 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 m -75.09 171.06 12.75 Favored Pre-proline 0 CA--C 1.556 1.197 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.962 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.02 122.8 4.36 Favored 'Trans proline' 0 C--N 1.388 2.651 0 C-N-CA 121.73 1.62 . . . . 0.0 113.261 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mp -135.69 157.36 47.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -129.75 105.5 8.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.138 0.495 . . . . 0.0 111.373 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -99.72 155.83 17.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 60.93 97.6 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.35 0.66 . . . . 0.0 110.367 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -72.48 -14.52 61.69 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.12 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.2 tp -142.53 101.14 5.58 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -77.76 177.38 39.4 Favored 'Cis proline' 0 C--N 1.376 2.022 0 CA-C-O 118.194 -0.836 . . . . 0.0 111.326 -0.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' O ' HD12 ' A' ' 18' ' ' ILE . 5.5 Cg_exo -83.26 134.58 6.89 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 121.795 1.663 . . . . 0.0 113.359 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 17' ' ' PRO . 43.7 mm . . . . . 0 N--CA 1.465 0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.466 0.33 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.68 129.38 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.281 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -129.9 157.43 76.85 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.554 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -39.78 -46.78 3.7 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.853 3.035 . . . . 0.0 115.616 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.53 154.5 40.09 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.007 1.805 . . . . 0.0 112.486 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.8 45.45 1.6 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -139.78 143.12 36.75 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.453 0.301 . . . . 0.0 110.714 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.48 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 89.0 p 50.24 46.44 3.72 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 124.006 0.922 . . . . 0.0 113.24 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 8' ' ' SER . 9.6 Cg_exo -73.32 123.39 8.69 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 121.889 1.726 . . . . 0.0 113.085 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.04 177.0 8.21 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.0 m -128.79 118.16 22.31 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -99.51 150.19 22.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.103 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -130.24 75.91 1.69 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.452 0.644 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -93.42 -87.5 0.24 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.619 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 tp -175.49 92.13 0.28 Allowed Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 122.931 0.492 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.46 -173.85 10.4 Favored 'Cis proline' 0 C--N 1.373 1.867 0 CA-C-N 119.592 0.89 . . . . 0.0 111.909 -0.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.28 137.02 13.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.922 1.748 . . . . 0.0 113.058 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.884 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 63.39 118.34 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.004 0.922 . . . . 0.0 111.891 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -129.95 152.69 80.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -43.87 -46.82 10.47 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.428 2.752 . . . . 0.0 115.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.94 135.26 11.09 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.18 1.92 . . . . 0.0 112.563 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.03 47.01 1.24 Allowed Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.789 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.81 -24.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.357 0.263 . . . . 0.0 111.627 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 53.2 m -132.94 45.43 1.66 Allowed Pre-proline 0 CA--C 1.558 1.281 0 O-C-N 123.502 0.501 . . . . 0.0 111.957 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.6 Cg_exo -79.55 123.58 5.45 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 121.963 1.775 . . . . 0.0 112.872 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.21 160.95 37.1 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.846 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -129.81 111.31 12.48 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -105.83 159.76 15.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.097 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.09 73.01 1.07 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.499 0.666 . . . . 0.0 110.232 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -84.35 -88.38 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.086 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -173.59 83.36 0.38 Allowed Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 122.809 0.444 . . . . 0.0 111.101 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -91.85 -171.32 4.6 Favored 'Cis proline' 0 C--N 1.372 1.815 0 CA-C-N 119.358 0.806 . . . . 0.0 112.082 -1.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -73.17 160.4 45.4 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.03 1.82 . . . . 0.0 113.017 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.892 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.642 0.258 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 60.83 115.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.073 0.949 . . . . 0.0 112.262 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 8.9 mmt180 -137.52 -48.43 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.869 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 2.9 Cg_exo -78.17 164.21 27.15 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.393 2.062 . . . . 0.0 112.709 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.7 -19.78 66.51 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.725 2.283 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.77 54.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 121.346 -0.454 . . . . 0.0 113.364 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -140.42 -39.13 0.44 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.326 0.25 . . . . 0.0 111.403 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.545 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.2 t -135.02 45.63 1.51 Allowed Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.4 Cg_exo -79.81 132.92 9.96 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 122.032 1.822 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.95 134.79 44.99 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.998 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.7 m -129.88 145.24 51.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.436 0.46 . . . . 0.0 111.573 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -100.11 -65.9 0.94 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.852 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -150.59 -0.5 0.4 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.273 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 m 72.83 -45.56 0.63 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.639 1.176 . . . . 0.0 112.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -150.33 131.42 7.33 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.012 0.525 . . . . 0.0 109.961 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.4 Cg_exo -63.28 -31.64 2.63 Favored 'Cis proline' 0 C--N 1.377 2.049 0 N-CA-C 117.17 1.95 . . . . 0.0 117.17 -0.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 19.9 Cg_endo -57.42 -149.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.459 2.106 . . . . 0.0 114.606 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 111.004 -178.295 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.774 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 63.85 119.56 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.772 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.21 159.88 69.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.73 166.8 19.02 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.588 2.192 . . . . 0.0 112.805 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 155.33 47.48 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.497 2.131 . . . . 0.0 113.177 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.73 -24.07 9.18 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.879 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -129.86 166.52 19.81 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.509 0.324 . . . . 0.0 110.8 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m -78.89 170.37 16.49 Favored Pre-proline 0 CA--C 1.556 1.184 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.02 116.46 3.11 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.624 1.55 . . . . 0.0 113.125 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.85 149.84 46.64 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.602 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 m -129.91 79.47 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.009 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 t -151.2 162.7 40.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.177 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -172.97 -92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.459 179.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t -161.54 -68.15 0.06 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.521 0.728 . . . . 0.0 109.791 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.47 122.72 0.25 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.697 0.799 . . . . 0.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.98 -175.32 14.99 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.351 0.804 . . . . 0.0 111.9 -0.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -76.24 163.95 31.83 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 121.948 1.766 . . . . 0.0 112.914 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.025 -179.722 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' H ' ' CD1' ' A' ' 18' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.621 0.248 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 67.44 111.5 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 0.0 111.405 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -130.03 161.09 61.98 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.796 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.16 166.34 4.37 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 122.538 2.159 . . . . 0.0 112.939 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.01 131.97 39.66 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.469 2.113 . . . . 0.0 113.249 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 -96.47 0.22 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.76 -49.34 1.04 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.656 0.265 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.6 p -141.37 169.45 11.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.285 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -84.88 136.47 6.05 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.8 1.666 . . . . 0.0 112.777 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -134.95 149.57 50.25 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.93 66.12 1.49 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.255 0.55 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.7 150.98 19.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -135.09 -63.9 0.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.715 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -162.15 -72.07 0.05 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.861 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.08 125.43 0.27 Allowed Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.815 0.846 . . . . 0.0 109.72 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.55 -172.95 9.91 Favored 'Cis proline' 0 C--N 1.373 1.831 0 CA-C-N 119.505 0.859 . . . . 0.0 112.189 -0.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.69 159.88 51.8 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 121.869 1.713 . . . . 0.0 112.769 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' CD1' ' H ' ' A' ' 1' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.665 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 64.14 127.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.951 0.901 . . . . 0.0 111.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -130.02 155.72 80.23 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -41.28 -46.98 5.55 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.739 2.959 . . . . 0.0 115.604 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.97 136.96 15.25 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.13 1.887 . . . . 0.0 112.571 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.7 47.65 1.4 Allowed Glycine 0 C--N 1.338 0.651 0 O-C-N 123.641 0.588 . . . . 0.0 112.899 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.88 -23.65 1.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.432 0.293 . . . . 0.0 111.471 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.3 t -132.49 46.94 2.39 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 8' ' ' SER . 6.3 Cg_exo -75.82 113.44 3.73 Favored 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 121.852 1.701 . . . . 0.0 112.977 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.15 -178.94 5.5 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.404 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.52 108.05 9.94 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.086 0.47 . . . . 0.0 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -113.07 171.86 7.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.586 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.1 mttt 62.52 98.3 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.345 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -79.22 -14.16 59.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.906 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -143.49 92.43 6.59 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -82.24 176.6 36.13 Favored 'Cis proline' 0 C--N 1.374 1.92 0 CA-C-O 118.073 -0.886 . . . . 0.0 111.436 -1.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 2.5 Cg_endo -84.93 147.79 10.61 Favored 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 121.806 1.671 . . . . 0.0 113.384 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 17' ' ' PRO . 45.0 mm . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 64.49 97.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.854 0.862 . . . . 0.0 111.554 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -132.57 111.68 13.79 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.28 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.04 -43.97 48.89 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.853 2.369 . . . . 0.0 115.049 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.45 101.92 1.13 Allowed 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.029 1.819 . . . . 0.0 113.099 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.97 -98.18 0.13 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.115 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -151.27 -57.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.868 0.467 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 m -146.28 169.97 8.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -84.42 107.02 1.17 Allowed 'Trans proline' 0 C--N 1.388 2.643 0 C-N-CA 121.7 1.6 . . . . 0.0 112.862 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -141.23 150.58 42.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -131.71 171.35 13.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 23.8 p -74.08 165.89 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.389 0.676 . . . . 0.0 111.83 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -105.2 62.85 0.69 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 111.054 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -128.62 -48.25 1.27 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.11 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.755 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -136.38 -54.79 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.469 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.755 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 17.9 Cg_endo -95.06 178.49 9.52 Favored 'Cis proline' 0 C--N 1.379 2.151 0 CA-C-N 120.057 1.056 . . . . 0.0 112.805 -0.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' H ' ' A' ' 18' ' ' ILE . 1.2 Cg_endo -87.08 -37.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 121.987 1.792 . . . . 0.0 113.134 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 44.7 mm . . . . . 0 N--CA 1.465 0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.119 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.788 0.328 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 57.84 107.0 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.029 0.932 . . . . 0.0 112.159 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.473 ' CZ ' HG21 ' A' ' 18' ' ' ILE . 78.9 mtt180 -136.87 -48.19 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.245 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 6.3 Cg_exo -80.25 119.14 3.76 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.246 1.964 . . . . 0.0 112.915 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.04 127.89 14.15 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.487 2.125 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.3 25.98 24.73 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.972 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -134.71 175.42 9.56 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 122.701 0.401 . . . . 0.0 110.734 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -76.27 169.73 19.48 Favored Pre-proline 0 CA--C 1.557 1.217 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -83.25 127.34 4.53 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 121.775 1.65 . . . . 0.0 113.288 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.04 152.76 51.99 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.307 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.87 120.53 25.08 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.025 0.441 . . . . 0.0 111.372 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.98 164.79 13.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.153 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 62.84 97.31 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.535 0.734 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 p -58.08 -29.95 65.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.903 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -148.93 113.52 3.64 Favored Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.314 0.384 . . . . 0.0 111.246 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.89 176.7 42.83 Favored 'Cis proline' 0 C--N 1.377 2.036 0 C-N-CA 124.857 -0.893 . . . . 0.0 111.504 -0.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 18' ' ' ILE . 4.1 Cg_exo -84.13 135.32 6.36 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 121.847 1.698 . . . . 0.0 113.325 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 43.4 mm . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.313 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.2 139.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.057 0.943 . . . . 0.0 111.235 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.77 159.35 70.24 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.021 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.84 168.05 3.67 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.674 2.25 . . . . 0.0 113.126 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.65 150.61 51.82 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.681 2.254 . . . . 0.0 113.51 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.26 -31.59 4.19 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.636 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -129.87 170.17 14.25 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.625 0.37 . . . . 0.0 110.635 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.0 p -76.16 170.01 18.05 Favored Pre-proline 0 CA--C 1.559 1.299 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.714 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -82.47 122.06 3.52 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.682 1.588 . . . . 0.0 113.16 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.74 129.83 28.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.5 m -129.93 150.66 51.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.7 p -90.35 -77.81 0.39 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -149.44 23.01 0.92 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m 69.18 -68.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.269 1.028 . . . . 0.0 111.481 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.407 ' HA ' ' C ' ' A' ' 16' ' ' PRO . 2.7 pp -146.69 148.03 32.07 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.669 0.606 . . . . 0.0 110.32 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.552 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 47.8 Cg_exo -59.37 -33.2 1.2 Allowed 'Cis proline' 0 C--N 1.374 1.886 0 N-CA-C 116.644 1.748 . . . . 0.0 116.644 -0.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 18.0 Cg_endo -57.33 -148.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 122.602 2.201 . . . . 0.0 114.059 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.424 0.631 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -140.07 142.08 36.17 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.791 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 8' ' ' SER . 5.0 ppt_? -139.91 159.37 64.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.38 167.71 26.11 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.573 2.182 . . . . 0.0 112.329 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.06 134.19 36.02 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.386 2.057 . . . . 0.0 112.936 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.53 0.14 27.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.12 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.75 164.81 24.28 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.513 0.325 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 37.2 m -84.18 169.22 17.59 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.61 137.21 12.75 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.859 1.706 . . . . 0.0 113.158 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tp -131.13 112.58 12.99 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.687 0.617 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m -137.17 137.19 38.91 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -98.11 -56.41 2.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.325 0.39 . . . . 0.0 111.964 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -140.92 3.63 1.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m 72.9 -46.64 0.65 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.463 1.105 . . . . 0.0 112.417 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.551 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -141.86 129.38 11.61 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.415 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.646 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 37.9 Cg_endo -98.85 20.79 24.47 Favored 'Cis proline' 0 CA--C 1.573 2.446 0 N-CA-C 117.122 1.931 . . . . 0.0 117.122 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 2.7 Cg_exo -76.85 -128.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.437 0 CA-C-N 122.188 1.817 . . . . 0.0 112.329 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' PRO . 48.4 mm . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.253 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 111.353 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.29 111.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.951 0.9 . . . . 0.0 111.317 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -130.0 -50.8 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.358 -179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' HG2' ' O ' ' A' ' 8' ' ' SER . 4.1 Cg_exo -76.63 153.22 34.04 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.207 1.938 . . . . 0.0 112.922 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.75 -20.68 39.65 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.621 2.214 . . . . 0.0 113.366 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.76 63.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -130.03 -54.54 1.12 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.626 0.25 . . . . 0.0 110.9 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' PRO . 75.5 m -145.69 166.37 17.68 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.369 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -94.32 123.53 0.41 Allowed 'Trans proline' 0 C--N 1.384 2.442 0 C-N-CA 121.996 1.798 . . . . 0.0 113.447 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -143.32 130.13 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.88 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . 17.2 m -129.82 68.11 1.44 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.847 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.51 152.14 15.9 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.86 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -126.88 -64.37 1.02 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.912 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t -161.31 -68.6 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.93 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -177.67 125.75 0.28 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 109.665 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.85 -174.01 11.81 Favored 'Cis proline' 0 C--N 1.373 1.842 0 CA-C-N 119.467 0.845 . . . . 0.0 112.034 -0.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.48 157.77 52.32 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.987 1.791 . . . . 0.0 112.747 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.549 0.932 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.241 -179.354 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -95.18 137.07 34.73 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.081 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.566 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 96.4 mtt180 -129.9 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.201 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 4.0 Cg_exo -79.24 171.94 15.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.409 2.072 . . . . 0.0 112.158 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.55 -15.61 42.54 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.575 2.183 . . . . 0.0 114.094 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.42 79.43 0.08 OUTLIER Glycine 0 C--N 1.338 0.682 0 O-C-N 123.368 0.417 . . . . 0.0 112.791 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.4 -37.97 0.55 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.278 0.231 . . . . 0.0 111.464 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -133.3 51.59 7.11 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.27 110.7 0.64 Allowed 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.137 1.892 . . . . 0.0 113.599 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -149.48 173.18 13.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.67 149.87 51.24 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.273 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.533 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 2.4 p -98.59 -68.95 0.78 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.407 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -151.96 2.72 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.682 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m 72.52 -44.57 0.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.815 1.246 . . . . 0.0 113.117 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -154.35 132.3 6.53 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.282 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 32.1 Cg_exo -63.32 -32.98 2.28 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 116.922 1.855 . . . . 0.0 116.922 -0.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 16.1 Cg_endo -55.67 -163.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.771 2.314 . . . . 0.0 114.773 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.437 ' CD1' ' HE ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.38 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.674 0.273 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 65.31 109.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.082 0.953 . . . . 0.0 111.648 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.69 159.86 70.06 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.764 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.41 166.33 4.76 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.548 2.166 . . . . 0.0 113.052 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.17 131.63 35.37 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.489 2.126 . . . . 0.0 113.247 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.98 -93.16 0.17 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.32 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.98 -51.04 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.234 0.214 . . . . 0.0 110.698 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.9 p -143.85 169.08 11.01 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.266 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -84.86 139.63 7.55 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.784 1.656 . . . . 0.0 112.749 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -133.95 141.24 47.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.02 53.03 1.96 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 123.553 0.533 . . . . 0.0 111.384 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 146.84 23.38 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -138.89 -71.82 0.4 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.691 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 m -159.14 -73.65 0.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.192 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -177.36 126.66 0.29 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.668 0.787 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -72.24 -173.16 9.98 Favored 'Cis proline' 0 C--N 1.372 1.809 0 CA-C-N 119.568 0.881 . . . . 0.0 112.335 -0.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.94 158.86 55.32 Favored 'Trans proline' 0 C--N 1.392 2.857 0 C-N-CA 121.78 1.653 . . . . 0.0 112.778 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.986 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.89 0.376 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 62.45 91.49 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.045 0.938 . . . . 0.0 111.665 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 15.6 ttt180 -141.53 -49.02 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.665 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 5.9 Cg_exo -79.97 166.72 20.81 Favored 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 122.42 2.08 . . . . 0.0 112.784 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.68 -30.09 6.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.563 2.176 . . . . 0.0 113.29 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.67 46.16 0.02 OUTLIER Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -135.61 -31.11 0.97 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.444 0.298 . . . . 0.0 111.21 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -133.15 46.92 2.32 Favored Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 8' ' ' SER . 21.3 Cg_exo -67.13 120.91 8.01 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 121.861 1.707 . . . . 0.0 113.491 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -138.02 166.34 24.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.901 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.66 28.94 5.09 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.36 152.19 23.66 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -134.65 -63.88 0.69 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.691 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -158.68 -74.12 0.08 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.985 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.34 123.75 0.25 Allowed Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 123.774 0.83 . . . . 0.0 109.817 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.72 -174.38 12.29 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.528 0.867 . . . . 0.0 112.026 0.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.14 158.58 48.94 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 121.913 1.742 . . . . 0.0 112.875 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 C--O 1.223 -0.302 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.802 -179.556 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 120.754 0.311 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 63.06 83.92 0.15 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.889 0.876 . . . . 0.0 111.665 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -134.52 -52.8 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.4 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.91 116.96 2.54 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.492 2.128 . . . . 0.0 112.708 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.51 126.97 14.87 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.345 2.03 . . . . 0.0 112.773 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.33 -103.78 0.2 Allowed Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.43 -37.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.352 0.261 . . . . 0.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.9 p -124.35 169.49 10.6 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -84.34 150.93 11.98 Favored 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 121.892 1.728 . . . . 0.0 113.108 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.84 142.28 48.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.727 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.2 m -129.84 127.83 41.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -92.04 172.04 8.7 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.025 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 96.9 mttt -111.63 -24.44 10.09 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -119.83 90.32 3.31 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.137 0.494 . . . . 0.0 111.556 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.943 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -143.98 -32.87 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.79 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.943 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 6.1 Cg_exo -73.6 -177.41 19.34 Favored 'Cis proline' 0 C--N 1.387 2.584 0 CA-C-N 121.826 1.688 . . . . 0.0 112.416 1.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 32.9 Cg_exo -15.63 122.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.406 3.6 0 C-N-CA 124.596 3.531 . . . . 0.0 116.9 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.111 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 63.4 m . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.61 -45.18 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.182 0.593 . . . . 0.0 109.908 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -151.36 161.33 30.01 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.158 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.14 160.7 4.2 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.627 2.218 . . . . 0.0 113.098 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.2 128.87 32.33 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.08 2.52 . . . . 0.0 113.698 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.89 -100.99 0.62 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -134.48 -36.58 0.87 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.569 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 20.2 t -133.65 43.33 0.99 Allowed Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.157 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.8 Cg_exo -79.62 138.42 13.55 Favored 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 121.937 1.758 . . . . 0.0 112.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -101.46 148.05 25.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.3 m -129.81 158.32 39.76 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.342 0.401 . . . . 0.0 111.815 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -84.4 -53.81 5.2 Favored 'General case' 0 C--N 1.344 0.326 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.784 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -142.12 -9.21 0.89 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m 72.95 -43.92 0.58 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.559 1.144 . . . . 0.0 112.78 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -143.03 130.88 11.11 Favored Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 123.479 0.487 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.646 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 26.2 Cg_endo -98.44 16.46 29.14 Favored 'Cis proline' 0 CA--C 1.572 2.376 0 N-CA-C 117.153 1.943 . . . . 0.0 117.153 -0.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 3.4 Cg_exo -82.09 -133.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 122.563 1.951 . . . . 0.0 112.3 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 98.0 mttt 67.82 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.365 1.066 . . . . 0.0 111.847 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -130.0 106.15 16.61 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.22 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.27 -43.99 49.64 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.912 2.408 . . . . 0.0 115.404 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -80.98 107.64 1.95 Allowed 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.963 1.775 . . . . 0.0 113.24 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.31 -97.5 0.12 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.012 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -152.94 -52.17 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.3 m -141.08 170.64 8.96 Favored Pre-proline 0 CA--C 1.551 0.987 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -83.77 123.78 3.34 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.689 1.593 . . . . 0.0 112.974 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -133.83 145.54 49.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.577 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 62.1 m -130.12 150.24 51.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 111.518 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.9 p -90.63 -70.23 0.69 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.519 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -151.97 0.38 0.33 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.8 m 72.43 -46.72 0.65 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.804 1.241 . . . . 0.0 112.749 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -149.45 130.92 7.36 Favored Pre-proline 0 CA--C 1.547 0.857 0 O-C-N 123.585 0.553 . . . . 0.0 109.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 38.5 Cg_exo -64.53 -31.59 2.94 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 117.085 1.917 . . . . 0.0 117.085 -0.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 35.8 Cg_endo -60.61 -142.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.318 2.012 . . . . 0.0 114.31 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' H ' ' HB2' ' A' ' 17' ' ' PRO . 1.1 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.62 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 30.5 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -144.26 -38.52 0.3 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.622 0.769 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -151.93 163.11 24.66 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.579 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.2 163.32 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.717 2.278 . . . . 0.0 113.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.46 127.71 27.1 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.8 2.334 . . . . 0.0 114.06 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.41 -107.84 0.47 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.126 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -156.19 -30.27 0.09 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.598 0.359 . . . . 0.0 111.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -92.89 -40.24 0.35 Allowed Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 118.476 -0.773 . . . . 0.0 113.084 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.87 142.83 77.44 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.157 1.905 . . . . 0.0 113.57 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -97.18 160.17 14.49 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.314 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.66 155.47 45.8 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -87.06 -65.62 1.0 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -150.73 -1.77 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.868 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t 72.56 -40.71 0.48 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.74 1.216 . . . . 0.0 112.838 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.67 132.46 6.15 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.074 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.514 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.3 Cg_exo -64.02 -34.68 1.94 Allowed 'Cis proline' 0 C--N 1.376 1.988 0 N-CA-C 116.815 1.814 . . . . 0.0 116.815 -0.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 30.1 Cg_endo -60.06 -163.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 122.327 2.018 . . . . 0.0 114.105 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.683 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.976 0.417 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 63.12 110.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.092 0.957 . . . . 0.0 111.578 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.75 ' H ' ' HD2' ' A' ' 4' ' ' PRO . 97.3 mtt180 -129.97 -52.02 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.109 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 27.6 Cg_endo -62.58 167.28 11.82 Favored 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 122.092 1.861 . . . . 0.0 113.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.68 -14.87 46.85 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.544 2.162 . . . . 0.0 113.689 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.15 81.5 0.05 OUTLIER Glycine 0 C--N 1.336 0.547 0 O-C-N 123.413 0.446 . . . . 0.0 112.782 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.94 -61.79 0.98 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 110.325 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -152.88 167.23 13.77 Favored Pre-proline 0 CA--C 1.551 1.013 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.284 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -89.86 132.57 2.0 Favored 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 121.886 1.724 . . . . 0.0 112.964 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.0 139.93 45.26 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.87 93.58 3.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.322 0.582 . . . . 0.0 111.159 179.729 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -101.63 156.41 17.51 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.557 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.0 mttt 61.2 97.68 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.214 0.606 . . . . 0.0 110.265 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -89.19 3.78 50.79 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.697 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 tp -139.66 81.61 19.51 Favored Pre-proline 0 CA--C 1.562 1.405 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.59 178.19 31.92 Favored 'Cis proline' 0 C--N 1.375 1.959 0 CA-C-O 117.981 -0.925 . . . . 0.0 111.262 -1.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 5.8 Cg_exo -81.68 141.03 12.04 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 121.735 1.623 . . . . 0.0 113.551 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 mm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.893 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.821 0.343 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.62 112.97 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.161 0.985 . . . . 0.0 112.488 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.457 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 10.7 ttp180 -136.84 -50.23 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.571 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 1.2 Cg_endo -85.63 134.87 4.83 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.306 2.004 . . . . 0.0 112.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.37 -5.33 14.9 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.361 2.041 . . . . 0.0 114.297 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.17 31.63 4.83 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.722 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.95 170.81 15.0 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.503 0.321 . . . . 0.0 110.969 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 m -75.09 171.06 12.75 Favored Pre-proline 0 CA--C 1.556 1.197 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.962 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.02 122.8 4.36 Favored 'Trans proline' 0 C--N 1.388 2.651 0 C-N-CA 121.73 1.62 . . . . 0.0 113.261 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mp -135.69 157.36 47.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -129.75 105.5 8.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.138 0.495 . . . . 0.0 111.373 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -99.72 155.83 17.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 60.93 97.6 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.35 0.66 . . . . 0.0 110.367 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -72.48 -14.52 61.69 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.12 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.2 tp -142.53 101.14 5.58 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 2.8 Cg_exo -77.76 177.38 39.4 Favored 'Cis proline' 0 C--N 1.376 2.022 0 CA-C-O 118.194 -0.836 . . . . 0.0 111.326 -0.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 18' ' ' ILE . 5.5 Cg_exo -83.26 134.58 6.89 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 121.795 1.663 . . . . 0.0 113.359 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 17' ' ' PRO . 43.7 mm . . . . . 0 N--CA 1.465 0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.466 0.33 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.68 129.38 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.281 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -129.9 157.43 76.85 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.554 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -39.78 -46.78 3.7 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.853 3.035 . . . . 0.0 115.616 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.53 154.5 40.09 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.007 1.805 . . . . 0.0 112.486 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.8 45.45 1.6 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -139.78 143.12 36.75 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.453 0.301 . . . . 0.0 110.714 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 89.0 p 50.24 46.44 3.72 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 124.006 0.922 . . . . 0.0 113.24 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 8' ' ' SER . 9.6 Cg_exo -73.32 123.39 8.69 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 121.889 1.726 . . . . 0.0 113.085 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.04 177.0 8.21 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.0 m -128.79 118.16 22.31 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -99.51 150.19 22.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.103 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -130.24 75.91 1.69 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.452 0.644 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -93.42 -87.5 0.24 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.619 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 tp -175.49 92.13 0.28 Allowed Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 122.931 0.492 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.46 -173.85 10.4 Favored 'Cis proline' 0 C--N 1.373 1.867 0 CA-C-N 119.592 0.89 . . . . 0.0 111.909 -0.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.28 137.02 13.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.922 1.748 . . . . 0.0 113.058 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.884 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 63.39 118.34 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.004 0.922 . . . . 0.0 111.891 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -129.95 152.69 80.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -43.87 -46.82 10.47 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.428 2.752 . . . . 0.0 115.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.94 135.26 11.09 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.18 1.92 . . . . 0.0 112.563 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.03 47.01 1.24 Allowed Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.789 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.81 -24.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.357 0.263 . . . . 0.0 111.627 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 53.2 m -132.94 45.43 1.66 Allowed Pre-proline 0 CA--C 1.558 1.281 0 O-C-N 123.502 0.501 . . . . 0.0 111.957 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.6 Cg_exo -79.55 123.58 5.45 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 121.963 1.775 . . . . 0.0 112.872 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.21 160.95 37.1 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.846 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -129.81 111.31 12.48 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -105.83 159.76 15.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.097 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.09 73.01 1.07 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.499 0.666 . . . . 0.0 110.232 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -84.35 -88.38 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.086 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -173.59 83.36 0.38 Allowed Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 122.809 0.444 . . . . 0.0 111.101 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -91.85 -171.32 4.6 Favored 'Cis proline' 0 C--N 1.372 1.815 0 CA-C-N 119.358 0.806 . . . . 0.0 112.082 -1.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -73.17 160.4 45.4 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.03 1.82 . . . . 0.0 113.017 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.892 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.642 0.258 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 60.83 115.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.073 0.949 . . . . 0.0 112.262 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 8.9 mmt180 -137.52 -48.43 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.869 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 2.9 Cg_exo -78.17 164.21 27.15 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.393 2.062 . . . . 0.0 112.709 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.7 -19.78 66.51 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.725 2.283 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.77 54.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 121.346 -0.454 . . . . 0.0 113.364 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -140.42 -39.13 0.44 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.326 0.25 . . . . 0.0 111.403 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.2 t -135.02 45.63 1.51 Allowed Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.4 Cg_exo -79.81 132.92 9.96 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 122.032 1.822 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.95 134.79 44.99 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.998 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.7 m -129.88 145.24 51.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.436 0.46 . . . . 0.0 111.573 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -100.11 -65.9 0.94 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.852 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -150.59 -0.5 0.4 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.273 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 m 72.83 -45.56 0.63 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.639 1.176 . . . . 0.0 112.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -150.33 131.42 7.33 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.012 0.525 . . . . 0.0 109.961 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.4 Cg_exo -63.28 -31.64 2.63 Favored 'Cis proline' 0 C--N 1.377 2.049 0 N-CA-C 117.17 1.95 . . . . 0.0 117.17 -0.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 19.9 Cg_endo -57.42 -149.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.459 2.106 . . . . 0.0 114.606 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 111.004 -178.295 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.774 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 63.85 119.56 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.772 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.21 159.88 69.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.73 166.8 19.02 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.588 2.192 . . . . 0.0 112.805 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 155.33 47.48 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.497 2.131 . . . . 0.0 113.177 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.73 -24.07 9.18 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.879 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -129.86 166.52 19.81 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.509 0.324 . . . . 0.0 110.8 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m -78.89 170.37 16.49 Favored Pre-proline 0 CA--C 1.556 1.184 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.02 116.46 3.11 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.624 1.55 . . . . 0.0 113.125 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.85 149.84 46.64 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.602 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 m -129.91 79.47 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.009 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 t -151.2 162.7 40.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.177 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 14' ' ' SER . 13.6 tttp -172.97 -92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.459 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 13' ' ' LYS . 21.1 t -161.54 -68.15 0.06 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.521 0.728 . . . . 0.0 109.791 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.47 122.72 0.25 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.697 0.799 . . . . 0.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.98 -175.32 14.99 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.351 0.804 . . . . 0.0 111.9 -0.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -76.24 163.95 31.83 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 121.948 1.766 . . . . 0.0 112.914 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.025 -179.722 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.621 0.248 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 67.44 111.5 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 0.0 111.405 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' A' ' 13' ' ' LYS . 56.7 mtt180 -130.03 161.09 61.98 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.796 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.16 166.34 4.37 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 122.538 2.159 . . . . 0.0 112.939 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.01 131.97 39.66 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.469 2.113 . . . . 0.0 113.249 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 -96.47 0.22 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.76 -49.34 1.04 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.656 0.265 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.6 p -141.37 169.45 11.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.285 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -84.88 136.47 6.05 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.8 1.666 . . . . 0.0 112.777 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -134.95 149.57 50.25 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.93 66.12 1.49 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.255 0.55 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.7 150.98 19.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' NH2' ' A' ' 3' ' ' ARG . 69.8 tttt -135.09 -63.9 0.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -162.15 -72.07 0.05 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.861 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.08 125.43 0.27 Allowed Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.815 0.846 . . . . 0.0 109.72 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.55 -172.95 9.91 Favored 'Cis proline' 0 C--N 1.373 1.831 0 CA-C-N 119.505 0.859 . . . . 0.0 112.189 -0.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.69 159.88 51.8 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 121.869 1.713 . . . . 0.0 112.769 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.665 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.716 0.293 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt 64.14 127.88 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.951 0.901 . . . . 0.0 111.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -130.02 155.72 80.23 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -41.28 -46.98 5.55 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 123.739 2.959 . . . . 0.0 115.604 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.97 136.96 15.25 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 122.13 1.887 . . . . 0.0 112.571 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.7 47.65 1.4 Allowed Glycine 0 C--N 1.338 0.651 0 O-C-N 123.641 0.588 . . . . 0.0 112.899 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -136.88 -23.65 1.17 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 122.432 0.293 . . . . 0.0 111.471 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.513 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 21.3 t -132.49 46.94 2.39 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 8' ' ' SER . 6.3 Cg_exo -75.82 113.44 3.73 Favored 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 121.852 1.701 . . . . 0.0 112.977 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.15 -178.94 5.5 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.404 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.9 m -129.52 108.05 9.94 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.086 0.47 . . . . 0.0 110.961 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 t -113.07 171.86 7.28 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.586 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.1 mttt 62.52 98.3 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.345 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -79.22 -14.16 59.24 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.906 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -143.49 92.43 6.59 Favored Pre-proline 0 CA--C 1.562 1.406 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -82.24 176.6 36.13 Favored 'Cis proline' 0 C--N 1.374 1.92 0 CA-C-O 118.073 -0.886 . . . . 0.0 111.436 -1.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 2.5 Cg_endo -84.93 147.79 10.61 Favored 'Trans proline' 0 C--N 1.383 2.39 0 C-N-CA 121.806 1.671 . . . . 0.0 113.384 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 17' ' ' PRO . 45.0 mm . . . . . 0 N--CA 1.465 0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 64.49 97.95 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.854 0.862 . . . . 0.0 111.554 -179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -132.57 111.68 13.79 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.28 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.04 -43.97 48.89 Favored 'Trans proline' 0 C--N 1.375 1.941 0 C-N-CA 122.853 2.369 . . . . 0.0 115.049 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -82.45 101.92 1.13 Allowed 'Trans proline' 0 C--N 1.382 2.331 0 C-N-CA 122.029 1.819 . . . . 0.0 113.099 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.97 -98.18 0.13 Allowed Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 112.115 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -151.27 -57.85 0.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 122.868 0.467 . . . . 0.0 110.64 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.5 m -146.28 169.97 8.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -84.42 107.02 1.17 Allowed 'Trans proline' 0 C--N 1.388 2.643 0 C-N-CA 121.7 1.6 . . . . 0.0 112.862 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mp -141.23 150.58 42.85 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -131.71 171.35 13.6 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 23.8 p -74.08 165.89 24.35 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.389 0.676 . . . . 0.0 111.83 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -105.2 62.85 0.69 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.44 0.638 . . . . 0.0 111.054 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.4 m -128.62 -48.25 1.27 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.11 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.755 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -136.38 -54.79 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.469 179.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.755 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 17.9 Cg_endo -95.06 178.49 9.52 Favored 'Cis proline' 0 C--N 1.379 2.151 0 CA-C-N 120.057 1.056 . . . . 0.0 112.805 -0.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' H ' ' A' ' 18' ' ' ILE . 1.2 Cg_endo -87.08 -37.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.386 2.505 0 C-N-CA 121.987 1.792 . . . . 0.0 113.134 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' H ' ' HD2' ' A' ' 17' ' ' PRO . 44.7 mm . . . . . 0 N--CA 1.465 0.312 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.119 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 81.4 m . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.788 0.328 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 57.84 107.0 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.029 0.932 . . . . 0.0 112.159 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.473 ' CZ ' HG21 ' A' ' 18' ' ' ILE . 78.9 mtt180 -136.87 -48.19 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 118.566 -0.73 . . . . 0.0 112.245 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.466 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 6.3 Cg_exo -80.25 119.14 3.76 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.246 1.964 . . . . 0.0 112.915 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.04 127.89 14.15 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.487 2.125 . . . . 0.0 112.629 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.3 25.98 24.73 Favored Glycine 0 C--N 1.339 0.736 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.972 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -134.71 175.42 9.56 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 122.701 0.401 . . . . 0.0 110.734 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.5 m -76.27 169.73 19.48 Favored Pre-proline 0 CA--C 1.557 1.217 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -83.25 127.34 4.53 Favored 'Trans proline' 0 C--N 1.387 2.576 0 C-N-CA 121.775 1.65 . . . . 0.0 113.288 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.04 152.76 51.99 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.307 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.5 m -129.87 120.53 25.08 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.025 0.441 . . . . 0.0 111.372 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.98 164.79 13.66 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.153 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp 62.84 97.31 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.535 0.734 . . . . 0.0 110.653 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.2 p -58.08 -29.95 65.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.208 -0.906 . . . . 0.0 112.903 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -148.93 113.52 3.64 Favored Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.314 0.384 . . . . 0.0 111.246 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.89 176.7 42.83 Favored 'Cis proline' 0 C--N 1.377 2.036 0 C-N-CA 124.857 -0.893 . . . . 0.0 111.504 -0.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' O ' HD13 ' A' ' 18' ' ' ILE . 4.1 Cg_exo -84.13 135.32 6.36 Favored 'Trans proline' 0 C--N 1.384 2.419 0 C-N-CA 121.847 1.698 . . . . 0.0 113.325 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 43.4 mm . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.313 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.2 139.66 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.057 0.943 . . . . 0.0 111.235 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.77 159.35 70.24 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.021 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.84 168.05 3.67 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.674 2.25 . . . . 0.0 113.126 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.65 150.61 51.82 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.681 2.254 . . . . 0.0 113.51 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.26 -31.59 4.19 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.636 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -129.87 170.17 14.25 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 122.625 0.37 . . . . 0.0 110.635 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.0 p -76.16 170.01 18.05 Favored Pre-proline 0 CA--C 1.559 1.299 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.714 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -82.47 122.06 3.52 Favored 'Trans proline' 0 C--N 1.387 2.562 0 C-N-CA 121.682 1.588 . . . . 0.0 113.16 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.74 129.83 28.96 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.502 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.5 m -129.93 150.66 51.12 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.7 p -90.35 -77.81 0.39 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.445 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -149.44 23.01 0.92 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.322 0.649 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.7 m 69.18 -68.45 0.19 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.269 1.028 . . . . 0.0 111.481 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 ' HA ' ' C ' ' A' ' 16' ' ' PRO . 2.7 pp -146.69 148.03 32.07 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.669 0.606 . . . . 0.0 110.32 178.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.552 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 47.8 Cg_exo -59.37 -33.2 1.2 Allowed 'Cis proline' 0 C--N 1.374 1.886 0 N-CA-C 116.644 1.748 . . . . 0.0 116.644 -0.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 18.0 Cg_endo -57.33 -148.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 122.602 2.201 . . . . 0.0 114.059 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 121.424 0.631 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -140.07 142.08 36.17 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.791 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 8' ' ' SER . 5.0 ppt_? -139.91 159.37 64.92 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.055 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.38 167.71 26.11 Favored 'Trans proline' 0 C--N 1.377 2.046 0 C-N-CA 122.573 2.182 . . . . 0.0 112.329 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.06 134.19 36.02 Favored 'Trans proline' 0 C--N 1.377 2.038 0 C-N-CA 122.386 2.057 . . . . 0.0 112.936 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.53 0.14 27.75 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.779 -0.646 . . . . 0.0 113.12 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -130.75 164.81 24.28 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.513 0.325 . . . . 0.0 110.793 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 3' ' ' ARG . 37.2 m -84.18 169.22 17.59 Favored Pre-proline 0 CA--C 1.555 1.162 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -79.61 137.21 12.75 Favored 'Trans proline' 0 C--N 1.388 2.639 0 C-N-CA 121.859 1.706 . . . . 0.0 113.158 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tp -131.13 112.58 12.99 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.687 0.617 . . . . 0.0 110.475 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 m -137.17 137.19 38.91 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.402 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -98.11 -56.41 2.49 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.325 0.39 . . . . 0.0 111.964 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -140.92 3.63 1.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.1 m 72.9 -46.64 0.65 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 124.463 1.105 . . . . 0.0 112.417 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.551 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -141.86 129.38 11.61 Favored Pre-proline 0 CA--C 1.553 1.068 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.415 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.646 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 37.9 Cg_endo -98.85 20.79 24.47 Favored 'Cis proline' 0 CA--C 1.573 2.446 0 N-CA-C 117.122 1.931 . . . . 0.0 117.122 0.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 2.7 Cg_exo -76.85 -128.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.437 0 CA-C-N 122.188 1.817 . . . . 0.0 112.329 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' PRO . 48.4 mm . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.978 0.418 . . . . 0.0 110.253 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.76 0.314 . . . . 0.0 111.353 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 62.29 111.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.951 0.9 . . . . 0.0 111.317 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -130.0 -50.8 0.03 OUTLIER Pre-proline 0 CA--C 1.546 0.807 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.358 -179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.547 ' HG2' ' O ' ' A' ' 8' ' ' SER . 4.1 Cg_exo -76.63 153.22 34.04 Favored 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.207 1.938 . . . . 0.0 112.922 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.75 -20.68 39.65 Favored 'Trans proline' 0 C--N 1.376 1.98 0 C-N-CA 122.621 2.214 . . . . 0.0 113.366 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.76 63.22 0.01 OUTLIER Glycine 0 C--N 1.337 0.587 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.973 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -130.03 -54.54 1.12 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.626 0.25 . . . . 0.0 110.9 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' PRO . 75.5 m -145.69 166.37 17.68 Favored Pre-proline 0 CA--C 1.55 0.966 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.369 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -94.32 123.53 0.41 Allowed 'Trans proline' 0 C--N 1.384 2.442 0 C-N-CA 121.996 1.798 . . . . 0.0 113.447 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -143.32 130.13 20.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.88 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 1' ' ' CYS . 17.2 m -129.82 68.11 1.44 Allowed 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.847 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.51 152.14 15.9 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.86 178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -126.88 -64.37 1.02 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.912 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.1 t -161.31 -68.6 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.93 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -177.67 125.75 0.28 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 109.665 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.85 -174.01 11.81 Favored 'Cis proline' 0 C--N 1.373 1.842 0 CA-C-N 119.467 0.845 . . . . 0.0 112.034 -0.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.48 157.77 52.32 Favored 'Trans proline' 0 C--N 1.39 2.719 0 C-N-CA 121.987 1.791 . . . . 0.0 112.747 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 CA--C 1.549 0.932 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.241 -179.354 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.763 0.316 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -95.18 137.07 34.73 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.081 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.566 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 96.4 mtt180 -129.9 -44.46 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.201 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.566 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 4.0 Cg_exo -79.24 171.94 15.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.409 2.072 . . . . 0.0 112.158 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.55 -15.61 42.54 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 122.575 2.183 . . . . 0.0 114.094 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.42 79.43 0.08 OUTLIER Glycine 0 C--N 1.338 0.682 0 O-C-N 123.368 0.417 . . . . 0.0 112.791 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -138.4 -37.97 0.55 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.278 0.231 . . . . 0.0 111.464 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.4 m -133.3 51.59 7.11 Favored Pre-proline 0 CA--C 1.557 1.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.661 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.27 110.7 0.64 Allowed 'Trans proline' 0 C--N 1.387 2.566 0 C-N-CA 122.137 1.892 . . . . 0.0 113.599 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.4 mt -149.48 173.18 13.86 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.9 m -129.67 149.87 51.24 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.273 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.533 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 2.4 p -98.59 -68.95 0.78 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.407 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -151.96 2.72 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.682 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m 72.52 -44.57 0.6 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.815 1.246 . . . . 0.0 113.117 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -154.35 132.3 6.53 Favored Pre-proline 0 CA--C 1.549 0.94 0 CA-C-O 118.914 -0.565 . . . . 0.0 110.282 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 32.1 Cg_exo -63.32 -32.98 2.28 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 116.922 1.855 . . . . 0.0 116.922 -0.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 16.1 Cg_endo -55.67 -163.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.771 2.314 . . . . 0.0 114.773 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.437 ' CD1' ' HE ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.38 -179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 120.674 0.273 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 65.31 109.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 124.082 0.953 . . . . 0.0 111.648 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -131.69 159.86 70.06 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.764 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.41 166.33 4.76 Favored 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.548 2.166 . . . . 0.0 113.052 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -62.17 131.63 35.37 Favored 'Trans proline' 0 C--N 1.377 2.07 0 C-N-CA 122.489 2.126 . . . . 0.0 113.247 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.98 -93.16 0.17 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.32 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.98 -51.04 1.03 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 122.234 0.214 . . . . 0.0 110.698 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 89.9 p -143.85 169.08 11.01 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.266 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -84.86 139.63 7.55 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.784 1.656 . . . . 0.0 112.749 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -133.95 141.24 47.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.755 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -130.02 53.03 1.96 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 123.553 0.533 . . . . 0.0 111.384 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.04 146.84 23.38 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -138.89 -71.82 0.4 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.691 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.0 m -159.14 -73.65 0.08 Allowed 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.192 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -177.36 126.66 0.29 Allowed Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 123.668 0.787 . . . . 0.0 109.557 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -72.24 -173.16 9.98 Favored 'Cis proline' 0 C--N 1.372 1.809 0 CA-C-N 119.568 0.881 . . . . 0.0 112.335 -0.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.94 158.86 55.32 Favored 'Trans proline' 0 C--N 1.392 2.857 0 C-N-CA 121.78 1.653 . . . . 0.0 112.778 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.986 -179.172 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.89 0.376 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 62.45 91.49 0.07 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.045 0.938 . . . . 0.0 111.665 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 15.6 ttt180 -141.53 -49.02 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.793 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.665 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.492 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 5.9 Cg_exo -79.97 166.72 20.81 Favored 'Trans proline' 0 C--N 1.381 2.261 0 C-N-CA 122.42 2.08 . . . . 0.0 112.784 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -75.68 -30.09 6.56 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.563 2.176 . . . . 0.0 113.29 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.67 46.16 0.02 OUTLIER Glycine 0 C--N 1.332 0.35 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.866 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -135.61 -31.11 0.97 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.444 0.298 . . . . 0.0 111.21 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -133.15 46.92 2.32 Favored Pre-proline 0 CA--C 1.555 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 8' ' ' SER . 21.3 Cg_exo -67.13 120.91 8.01 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 121.861 1.707 . . . . 0.0 113.491 -179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 mt -138.02 166.34 24.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.901 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.66 28.94 5.09 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.36 152.19 23.66 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.162 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.7 tttp -134.65 -63.88 0.69 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.691 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.1 m -158.68 -74.12 0.08 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.985 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.34 123.75 0.25 Allowed Pre-proline 0 CA--C 1.552 1.022 0 C-N-CA 123.774 0.83 . . . . 0.0 109.817 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.72 -174.38 12.29 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.528 0.867 . . . . 0.0 112.026 0.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -73.14 158.58 48.94 Favored 'Trans proline' 0 C--N 1.39 2.734 0 C-N-CA 121.913 1.742 . . . . 0.0 112.875 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.1 mm . . . . . 0 C--O 1.223 -0.302 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.802 -179.556 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 120.754 0.311 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 63.06 83.92 0.15 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.889 0.876 . . . . 0.0 111.665 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -134.52 -52.8 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.4 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.91 116.96 2.54 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.492 2.128 . . . . 0.0 112.708 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.51 126.97 14.87 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.345 2.03 . . . . 0.0 112.773 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.33 -103.78 0.2 Allowed Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -135.43 -37.03 0.78 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 122.352 0.261 . . . . 0.0 111.656 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.9 p -124.35 169.49 10.6 Favored Pre-proline 0 CA--C 1.554 1.13 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.402 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -84.34 150.93 11.98 Favored 'Trans proline' 0 C--N 1.387 2.587 0 C-N-CA 121.892 1.728 . . . . 0.0 113.108 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.84 142.28 48.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.727 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.2 m -129.84 127.83 41.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.462 ' OG1' HG22 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -92.04 172.04 8.7 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.025 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 96.9 mttt -111.63 -24.44 10.09 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -119.83 90.32 3.31 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.137 0.494 . . . . 0.0 111.556 -179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.943 ' H ' ' HA ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -143.98 -32.87 0.0 OUTLIER Pre-proline 0 CA--C 1.554 1.122 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.79 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.943 ' HA ' ' H ' ' A' ' 15' ' ' ILE . 6.1 Cg_exo -73.6 -177.41 19.34 Favored 'Cis proline' 0 C--N 1.387 2.584 0 CA-C-N 121.826 1.688 . . . . 0.0 112.416 1.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 32.9 Cg_exo -15.63 122.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.406 3.6 0 C-N-CA 124.596 3.531 . . . . 0.0 116.9 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.52 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.111 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 63.4 m . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.61 -45.18 0.19 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.182 0.593 . . . . 0.0 109.908 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -151.36 161.33 30.01 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.158 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.14 160.7 4.2 Favored 'Trans proline' 0 C--N 1.38 2.203 0 C-N-CA 122.627 2.218 . . . . 0.0 113.098 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.2 128.87 32.33 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.08 2.52 . . . . 0.0 113.698 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -135.89 -100.99 0.62 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -134.48 -36.58 0.87 Allowed 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.569 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 20.2 t -133.65 43.33 0.99 Allowed Pre-proline 0 CA--C 1.56 1.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.157 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.8 Cg_exo -79.62 138.42 13.55 Favored 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 121.937 1.758 . . . . 0.0 112.902 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -101.46 148.05 25.64 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.271 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.3 m -129.81 158.32 39.76 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.342 0.401 . . . . 0.0 111.815 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -84.4 -53.81 5.2 Favored 'General case' 0 C--N 1.344 0.326 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.784 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -142.12 -9.21 0.89 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.221 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.4 m 72.95 -43.92 0.58 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 124.559 1.144 . . . . 0.0 112.78 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.499 ' C ' ' HD3' ' A' ' 17' ' ' PRO . 3.1 tp -143.03 130.88 11.11 Favored Pre-proline 0 CA--C 1.553 1.084 0 O-C-N 123.479 0.487 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.646 ' N ' ' HD3' ' A' ' 17' ' ' PRO . 26.2 Cg_endo -98.44 16.46 29.14 Favored 'Cis proline' 0 CA--C 1.572 2.376 0 N-CA-C 117.153 1.943 . . . . 0.0 117.153 -0.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 16' ' ' PRO . 3.4 Cg_exo -82.09 -133.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.508 0 CA-C-N 122.563 1.951 . . . . 0.0 112.3 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 N--CA 1.469 0.483 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 98.0 mttt 67.82 115.19 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.365 1.066 . . . . 0.0 111.847 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -130.0 106.15 16.61 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.22 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.27 -43.99 49.64 Favored 'Trans proline' 0 C--N 1.374 1.906 0 C-N-CA 122.912 2.408 . . . . 0.0 115.404 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -80.98 107.64 1.95 Allowed 'Trans proline' 0 C--N 1.381 2.237 0 C-N-CA 121.963 1.775 . . . . 0.0 113.24 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.31 -97.5 0.12 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.012 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -152.94 -52.17 0.11 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.975 0.51 . . . . 0.0 110.777 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.3 m -141.08 170.64 8.96 Favored Pre-proline 0 CA--C 1.551 0.987 0 CA-C-O 118.38 -0.819 . . . . 0.0 110.263 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -83.77 123.78 3.34 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.689 1.593 . . . . 0.0 112.974 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -133.83 145.54 49.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.577 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 2' ' ' LYS . 62.1 m -130.12 150.24 51.47 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.496 0.498 . . . . 0.0 111.518 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.473 ' OG1' ' HB2' ' A' ' 17' ' ' PRO . 16.9 p -90.63 -70.23 0.69 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.519 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -151.97 0.38 0.33 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.728 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 51.8 m 72.43 -46.72 0.65 Allowed 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.804 1.241 . . . . 0.0 112.749 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -149.45 130.92 7.36 Favored Pre-proline 0 CA--C 1.547 0.857 0 O-C-N 123.585 0.553 . . . . 0.0 109.896 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 38.5 Cg_exo -64.53 -31.59 2.94 Favored 'Cis proline' 0 C--N 1.376 1.997 0 N-CA-C 117.085 1.917 . . . . 0.0 117.085 -0.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 35.8 Cg_endo -60.61 -142.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.318 2.012 . . . . 0.0 114.31 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' H ' ' HB2' ' A' ' 17' ' ' PRO . 1.1 tp . . . . . 0 CA--C 1.545 0.788 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.62 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 30.5 m . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -144.26 -38.52 0.3 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.622 0.769 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -151.93 163.11 24.66 Favored Pre-proline 0 CA--C 1.542 0.662 0 CA-C-N 114.528 -1.215 . . . . 0.0 109.579 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -50.2 163.32 0.62 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.717 2.278 . . . . 0.0 113.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.46 127.71 27.1 Favored 'Trans proline' 0 C--N 1.378 2.087 0 C-N-CA 122.8 2.334 . . . . 0.0 114.06 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.41 -107.84 0.47 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.126 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -156.19 -30.27 0.09 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.598 0.359 . . . . 0.0 111.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -92.89 -40.24 0.35 Allowed Pre-proline 0 CA--C 1.547 0.85 0 CA-C-O 118.476 -0.773 . . . . 0.0 113.084 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.87 142.83 77.44 Favored 'Trans proline' 0 C--N 1.381 2.277 0 C-N-CA 122.157 1.905 . . . . 0.0 113.57 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 1' ' ' CYS . 5.8 mp -97.18 160.17 14.49 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.314 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.66 155.47 45.8 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.1 p -87.06 -65.62 1.0 Allowed 'General case' 0 C--N 1.343 0.292 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -150.73 -1.77 0.37 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.868 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.6 t 72.56 -40.71 0.48 Allowed 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 124.74 1.216 . . . . 0.0 112.838 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -155.67 132.46 6.15 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-O 118.952 -0.547 . . . . 0.0 110.074 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.514 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.3 Cg_exo -64.02 -34.68 1.94 Allowed 'Cis proline' 0 C--N 1.376 1.988 0 N-CA-C 116.815 1.814 . . . . 0.0 116.815 -0.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 30.1 Cg_endo -60.06 -163.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.385 2.456 0 C-N-CA 122.327 2.018 . . . . 0.0 114.105 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.683 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.51 0 CA-C-O 120.976 0.417 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 63.12 110.02 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.092 0.957 . . . . 0.0 111.578 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.75 ' H ' ' HD2' ' A' ' 4' ' ' PRO . 97.3 mtt180 -129.97 -52.02 0.03 OUTLIER Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 118.485 -0.769 . . . . 0.0 112.109 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 3' ' ' ARG . 27.6 Cg_endo -62.58 167.28 11.82 Favored 'Trans proline' 0 C--N 1.384 2.403 0 C-N-CA 122.092 1.861 . . . . 0.0 113.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.68 -14.87 46.85 Favored 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.544 2.162 . . . . 0.0 113.689 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.15 81.5 0.05 OUTLIER Glycine 0 C--N 1.336 0.547 0 O-C-N 123.413 0.446 . . . . 0.0 112.782 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.94 -61.79 0.98 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 110.325 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.6 m -152.88 167.23 13.77 Favored Pre-proline 0 CA--C 1.551 1.013 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.284 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -89.86 132.57 2.0 Favored 'Trans proline' 0 C--N 1.385 2.469 0 C-N-CA 121.886 1.724 . . . . 0.0 112.964 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -135.0 139.93 45.26 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.583 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -129.87 93.58 3.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.322 0.582 . . . . 0.0 111.159 179.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -101.63 156.41 17.51 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.557 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' O ' ' HA ' ' A' ' 17' ' ' PRO . 98.0 mttt 61.2 97.68 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.214 0.606 . . . . 0.0 110.265 -178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 t -89.19 3.78 50.79 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.697 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 tp -139.66 81.61 19.51 Favored Pre-proline 0 CA--C 1.562 1.405 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.59 178.19 31.92 Favored 'Cis proline' 0 C--N 1.375 1.959 0 CA-C-O 117.981 -0.925 . . . . 0.0 111.262 -1.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.549 ' HA ' ' O ' ' A' ' 13' ' ' LYS . 5.8 Cg_exo -81.68 141.03 12.04 Favored 'Trans proline' 0 C--N 1.384 2.433 0 C-N-CA 121.735 1.623 . . . . 0.0 113.551 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 45.1 mm . . . . . 0 N--CA 1.465 0.298 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.893 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.821 0.343 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt 58.62 112.97 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.161 0.985 . . . . 0.0 112.488 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.457 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 10.7 ttp180 -136.84 -50.23 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.571 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.457 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 1.2 Cg_endo -85.63 134.87 4.83 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.306 2.004 . . . . 0.0 112.876 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.37 -5.33 14.9 Favored 'Trans proline' 0 C--N 1.369 1.637 0 C-N-CA 122.361 2.041 . . . . 0.0 114.297 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.17 31.63 4.83 Favored Glycine 0 C--N 1.342 0.898 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.722 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -142.95 170.81 15.0 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 122.503 0.321 . . . . 0.0 110.969 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.4 m -75.09 171.06 12.75 Favored Pre-proline 0 CA--C 1.556 1.197 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.962 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -81.02 122.8 4.36 Favored 'Trans proline' 0 C--N 1.388 2.651 0 C-N-CA 121.73 1.62 . . . . 0.0 113.261 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.5 mp -135.69 157.36 47.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.306 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -129.75 105.5 8.07 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.138 0.495 . . . . 0.0 111.373 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -99.72 155.83 17.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.577 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 60.93 97.6 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.35 0.66 . . . . 0.0 110.367 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.3 m -72.48 -14.52 61.69 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.18 -0.918 . . . . 0.0 113.12 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.2 tp -142.53 101.14 5.58 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 111.504 0.186 . . . . 0.0 111.504 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . 2.8 Cg_exo -77.76 177.38 39.4 Favored 'Cis proline' 0 C--N 1.376 2.022 0 CA-C-O 118.194 -0.836 . . . . 0.0 111.326 -0.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.426 ' O ' HD13 ' A' ' 18' ' ' ILE . 5.5 Cg_exo -83.26 134.58 6.89 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 121.795 1.663 . . . . 0.0 113.359 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 17' ' ' PRO . 43.7 mm . . . . . 0 N--CA 1.465 0.294 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.461 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.466 0.33 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 65.68 129.38 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.778 0.831 . . . . 0.0 111.281 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -129.9 157.43 76.85 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.554 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -39.78 -46.78 3.7 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.853 3.035 . . . . 0.0 115.616 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -75.53 154.5 40.09 Favored 'Trans proline' 0 C--N 1.383 2.374 0 C-N-CA 122.007 1.805 . . . . 0.0 112.486 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.8 45.45 1.6 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.939 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -139.78 143.12 36.75 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 122.453 0.301 . . . . 0.0 110.714 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 89.0 p 50.24 46.44 3.72 Favored Pre-proline 0 CA--C 1.565 1.554 0 C-N-CA 124.006 0.922 . . . . 0.0 113.24 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 8' ' ' SER . 9.6 Cg_exo -73.32 123.39 8.69 Favored 'Trans proline' 0 C--N 1.387 2.578 0 C-N-CA 121.889 1.726 . . . . 0.0 113.085 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.7 mt -138.04 177.0 8.21 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.0 m -128.79 118.16 22.31 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.875 0.369 . . . . 0.0 110.472 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 p -99.51 150.19 22.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.103 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -130.24 75.91 1.69 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.452 0.644 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -93.42 -87.5 0.24 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.619 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.1 tp -175.49 92.13 0.28 Allowed Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 122.931 0.492 . . . . 0.0 110.862 179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -85.46 -173.85 10.4 Favored 'Cis proline' 0 C--N 1.373 1.867 0 CA-C-N 119.592 0.89 . . . . 0.0 111.909 -0.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -79.28 137.02 13.08 Favored 'Trans proline' 0 C--N 1.387 2.601 0 C-N-CA 121.922 1.748 . . . . 0.0 113.058 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.235 0.29 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.884 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 120.752 0.311 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 63.39 118.34 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.004 0.922 . . . . 0.0 111.891 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -129.95 152.69 80.38 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.595 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -43.87 -46.82 10.47 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 123.428 2.752 . . . . 0.0 115.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -79.94 135.26 11.09 Favored 'Trans proline' 0 C--N 1.381 2.287 0 C-N-CA 122.18 1.92 . . . . 0.0 112.563 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.03 47.01 1.24 Allowed Glycine 0 C--N 1.336 0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.789 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.81 -24.3 1.15 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.357 0.263 . . . . 0.0 111.627 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 53.2 m -132.94 45.43 1.66 Allowed Pre-proline 0 CA--C 1.558 1.281 0 O-C-N 123.502 0.501 . . . . 0.0 111.957 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.6 Cg_exo -79.55 123.58 5.45 Favored 'Trans proline' 0 C--N 1.385 2.448 0 C-N-CA 121.963 1.775 . . . . 0.0 112.872 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.21 160.95 37.1 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.846 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -129.81 111.31 12.48 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 p -105.83 159.76 15.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.097 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -122.09 73.01 1.07 Allowed 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.499 0.666 . . . . 0.0 110.232 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -84.35 -88.38 0.11 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.086 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.2 tp -173.59 83.36 0.38 Allowed Pre-proline 0 CA--C 1.56 1.348 0 C-N-CA 122.809 0.444 . . . . 0.0 111.101 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -91.85 -171.32 4.6 Favored 'Cis proline' 0 C--N 1.372 1.815 0 CA-C-N 119.358 0.806 . . . . 0.0 112.082 -1.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -73.17 160.4 45.4 Favored 'Trans proline' 0 C--N 1.389 2.692 0 C-N-CA 122.03 1.82 . . . . 0.0 113.017 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.1 mm . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.892 179.892 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.642 0.258 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 60.83 115.01 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.073 0.949 . . . . 0.0 112.262 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.49 ' H ' ' CD ' ' A' ' 4' ' ' PRO . 8.9 mmt180 -137.52 -48.43 0.02 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.869 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.49 ' CD ' ' H ' ' A' ' 3' ' ' ARG . 2.9 Cg_exo -78.17 164.21 27.15 Favored 'Trans proline' 0 C--N 1.382 2.319 0 C-N-CA 122.393 2.062 . . . . 0.0 112.709 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.7 -19.78 66.51 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.725 2.283 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.77 54.23 0.06 OUTLIER Glycine 0 C--N 1.335 0.518 0 C-N-CA 121.346 -0.454 . . . . 0.0 113.364 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -140.42 -39.13 0.44 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 122.326 0.25 . . . . 0.0 111.403 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.2 t -135.02 45.63 1.51 Allowed Pre-proline 0 CA--C 1.559 1.289 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 8' ' ' SER . 4.4 Cg_exo -79.81 132.92 9.96 Favored 'Trans proline' 0 C--N 1.384 2.429 0 C-N-CA 122.032 1.822 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.3 mp -132.95 134.79 44.99 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.998 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.7 m -129.88 145.24 51.6 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.436 0.46 . . . . 0.0 111.573 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.2 p -100.11 -65.9 0.94 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.852 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -150.59 -0.5 0.4 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.273 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 m 72.83 -45.56 0.63 Allowed 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 124.639 1.176 . . . . 0.0 112.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.0 tp -150.33 131.42 7.33 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 123.012 0.525 . . . . 0.0 109.961 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' N ' ' HD2' ' A' ' 17' ' ' PRO . 31.4 Cg_exo -63.28 -31.64 2.63 Favored 'Cis proline' 0 C--N 1.377 2.049 0 N-CA-C 117.17 1.95 . . . . 0.0 117.17 -0.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 16' ' ' PRO . 19.9 Cg_endo -57.42 -149.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.459 2.106 . . . . 0.0 114.606 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.3 mm . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.999 0.428 . . . . 0.0 111.004 -178.295 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.774 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.0 mttp 63.85 119.56 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.772 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -131.21 159.88 69.59 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.9 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.73 166.8 19.02 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 122.588 2.192 . . . . 0.0 112.805 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.41 155.33 47.48 Favored 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.497 2.131 . . . . 0.0 113.177 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 117.73 -24.07 9.18 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.879 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -129.86 166.52 19.81 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 122.509 0.324 . . . . 0.0 110.8 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m -78.89 170.37 16.49 Favored Pre-proline 0 CA--C 1.556 1.184 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -81.02 116.46 3.11 Favored 'Trans proline' 0 C--N 1.39 2.729 0 C-N-CA 121.624 1.55 . . . . 0.0 113.125 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -137.85 149.84 46.64 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.602 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 m -129.91 79.47 1.91 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.009 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.3 t -151.2 162.7 40.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.177 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 14' ' ' SER . 13.6 tttp -172.97 -92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.459 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 13' ' ' LYS . 21.1 t -161.54 -68.15 0.06 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.521 0.728 . . . . 0.0 109.791 179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.47 122.72 0.25 Allowed Pre-proline 0 CA--C 1.553 1.065 0 C-N-CA 123.697 0.799 . . . . 0.0 109.858 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.98 -175.32 14.99 Favored 'Cis proline' 0 C--N 1.374 1.875 0 CA-C-N 119.351 0.804 . . . . 0.0 111.9 -0.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -76.24 163.95 31.83 Favored 'Trans proline' 0 C--N 1.387 2.58 0 C-N-CA 121.948 1.766 . . . . 0.0 112.914 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 N--CA 1.466 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.025 -179.722 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.469 0.516 0 CA-C-O 120.621 0.248 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.4 mttp 67.44 111.5 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.077 0.951 . . . . 0.0 111.405 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.407 ' NH2' ' HA ' ' A' ' 13' ' ' LYS . 56.7 mtt180 -130.03 161.09 61.98 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.796 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.16 166.34 4.37 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 122.538 2.159 . . . . 0.0 112.939 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.01 131.97 39.66 Favored 'Trans proline' 0 C--N 1.377 2.042 0 C-N-CA 122.469 2.113 . . . . 0.0 113.249 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 -96.47 0.22 Allowed Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.326 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -130.76 -49.34 1.04 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.656 0.265 . . . . 0.0 110.978 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.6 p -141.37 169.45 11.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.285 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -84.88 136.47 6.05 Favored 'Trans proline' 0 C--N 1.389 2.665 0 C-N-CA 121.8 1.666 . . . . 0.0 112.777 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 mp -134.95 149.57 50.25 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.693 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.93 66.12 1.49 Allowed 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.255 0.55 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -159.7 150.98 19.7 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HA ' ' NH2' ' A' ' 3' ' ' ARG . 69.8 tttt -135.09 -63.9 0.67 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.715 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -162.15 -72.07 0.05 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.861 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tp -178.08 125.43 0.27 Allowed Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.815 0.846 . . . . 0.0 109.72 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -72.55 -172.95 9.91 Favored 'Cis proline' 0 C--N 1.373 1.831 0 CA-C-N 119.505 0.859 . . . . 0.0 112.189 -0.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.69 159.88 51.8 Favored 'Trans proline' 0 C--N 1.391 2.813 0 C-N-CA 121.869 1.713 . . . . 0.0 112.769 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.665 -179.154 . . . . . . . . 1 1 . 1 stop_ save_