data_1ijz_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 1ijz _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.967 -0.753 . . . . 4.75 108.967 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.96 171.38 45.52 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.894 -1.682 . . . . 1.7 108.894 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -55.21 159.73 9.6 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 121.116 1.211 . . . . 1.29 111.859 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.9 m -79.12 147.54 69.68 Favored Pre-proline 0 C--N 1.304 -1.381 0 O-C-N 121.018 -1.051 . . . . 1.47 108.656 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.6 162.96 9.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 CA-C-N 119.941 1.015 . . . . 0.69999999999999996 112.83 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -46.81 14.39 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 120.954 1.103 . . . . 0.78000000000000003 112.531 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.426 ' HG ' ' N ' ' A' ' 8' ' ' THR . 79.2 p -62.29 -39.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.871 . . . . 0.97999999999999998 109.815 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' N ' ' HG ' ' A' ' 7' ' ' SER . 98.3 m -68.83 -42.01 77.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.067 -1.02 . . . . 1.1499999999999999 109.922 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.16 92.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.123 -0.985 . . . . 1.0900000000000001 109.274 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.6 tp -63.22 -49.93 72.26 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.234 -0.916 . . . . 1.4099999999999999 110.653 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -59.86 -44.24 94.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.979 -1.075 . . . . 3.6200000000000001 109.11 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -60.01 -37.64 80.3 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.099 -1.074 . . . . 1.9199999999999999 108.099 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.66 -47.85 61.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.308 -0.87 . . . . 1.0800000000000001 109.411 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.3 -48.39 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.888 -1.133 . . . . 1.1200000000000001 109.386 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.08 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.833 -1.167 . . . . 1.8999999999999999 109.48 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.07 -45.03 67.91 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.023 -1.048 . . . . 1.6799999999999999 110.403 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.02 -46.1 90.62 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.074 -1.017 . . . . 1.1200000000000001 110.105 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -60.6 -49.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.297 -0.877 . . . . 1.1000000000000001 109.287 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -50.95 -48.18 61.01 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 2.5099999999999998 111.421 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.02 -13.15 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.8 -1.187 . . . . 1.1599999999999999 111.619 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.2 p -101.94 -13.25 17.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.346 -0.847 . . . . 1.05 110.951 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.7 -39.55 17.09 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.522 -1.361 . . . . 2.5600000000000001 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -94.45 11.28 31.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.279 -0.888 . . . . 2.8700000000000001 109.885 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -81.7 128.21 33.73 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.858 -1.151 . . . . 2.3700000000000001 108.581 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -88.19 -80.01 0.29 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.108 -1.071 . . . . 2.8199999999999998 108.108 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.06 170.48 15.66 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 108.037 -1.097 . . . . 1.6299999999999999 108.037 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -57.13 147.91 72.77 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 CA-C-N 119.202 0.751 . . . . 1.0700000000000001 111.785 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.04 -51.41 69.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 1.6000000000000001 108.961 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' GLY . 84.2 m -89.55 168.64 12.01 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.797 -0.816 . . . . 0.65000000000000002 108.797 179.215 -67.537 -75.476 156.342 104.226 2.02 103.829 -157.41 -59.797 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.06 54.63 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.116 -0.99 . . . . 2.7799999999999998 109.036 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.41 23.85 77.19 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.19 -1.564 . . . . 0.38 109.19 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.4 m -61.81 150.01 38.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.256 -1.143 . . . . 0.95999999999999996 108.833 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 77.9 mtp -118.6 155.49 30.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.756 -0.831 . . . . 1.3600000000000001 108.756 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.01 160.03 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.48 0.657 . . . . 1.0600000000000001 109.246 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.96 134.82 43.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.552 -0.718 . . . . 0.41999999999999998 110.235 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -70.29 150.3 46.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.615 -0.883 . . . . 1.48 108.615 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 pt -133.71 171.34 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.696 -0.628 . . . . 1.0700000000000001 109.773 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 121.1 32.5 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.686 -0.857 . . . . 2.7799999999999998 108.686 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -81.01 105.36 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.166 -0.959 . . . . 1.1100000000000001 109.206 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 p -138.29 -100.03 0.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.602 -0.686 . . . . 1.1599999999999999 109.621 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.95 -64.82 1.21 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.697 -0.627 . . . . 1.3200000000000001 110.19 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.62 38.56 0.22 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.916 -1.274 . . . . 0.46999999999999997 109.916 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.547 ' H ' ' C ' ' A' ' 41' ' ' ALA . 64.7 mtm -60.88 -45.56 94.11 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -1.22 . . . . 1.1599999999999999 109.802 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -57.05 -47.18 81.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.654 -0.654 . . . . 0.96999999999999997 109.896 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.8 -50.96 45.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.57999999999999996 109.79 -179.741 -65.19 -57.267 117.167 104.265 2.021 104.372 87.055 -170.158 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.2 94.9 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.071 -1.018 . . . . 1.05 108.695 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.1 93.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.422 -0.799 . . . . 1.0600000000000001 109.874 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.48 -54.43 45.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 1.1399999999999999 110.717 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.0 pt-20 -56.2 -34.06 65.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.91 -1.119 . . . . 1.23 109.955 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -66.32 -40.75 90.12 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.924 -1.11 . . . . 1.9199999999999999 109.456 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.91 -33.83 72.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.307 -0.87 . . . . 1.0900000000000001 109.693 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 mm -55.07 -16.8 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.348 -0.845 . . . . 1.1200000000000001 108.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.76 -16.57 44.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.757 -1.214 . . . . 1.99 109.439 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -91.19 122.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.179 -0.95 . . . . 1.0600000000000001 109.203 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -128.06 145.12 51.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 121.234 0.54 . . . . 1.01 109.704 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.51 1.46 59.05 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.904 -1.278 . . . . 0.77000000000000002 109.904 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.4 m -110.73 94.89 5.23 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.763 -0.845 . . . . 0.56000000000000005 109.779 179.939 -59.797 -157.41 156.342 103.829 2.02 104.226 -75.476 -67.537 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -73.58 -30.26 62.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.119 -0.988 . . . . 1.2 109.485 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.89 -24.91 6.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 1.1899999999999999 110.215 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.6 pt -109.36 -0.24 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.685 -0.634 . . . . 1.1799999999999999 110.54 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.15 -49.42 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.737 -1.227 . . . . 2.2599999999999998 109.228 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.05 -38.68 83.5 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.493 -0.755 . . . . 2.4199999999999999 109.216 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 m -57.74 -42.67 84.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 1.0600000000000001 109.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.01 -39.9 87.39 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.924 -1.11 . . . . 1.97 108.905 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -63.68 -49.99 71.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 4.29 110.529 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.52 -40.03 89.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.003 -1.06 . . . . 1.1599999999999999 109.657 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.75 -40.03 93.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 1.05 109.023 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -58.43 -37.08 74.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.94999999999999996 109.284 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.74 -30.37 21.0 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.427 -1.469 . . . . 0.32000000000000001 109.427 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.43 -5.71 39.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -1.135 . . . . 0.47999999999999998 109.229 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 30.8 t -135.94 87.02 25.32 Favored Pre-proline 0 N--CA 1.492 1.664 0 N-CA-C 109.26 -0.644 . . . . 1.28 109.26 -178.561 -170.158 87.055 117.167 104.372 2.021 104.265 -57.267 -65.19 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -61.43 -15.33 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 N-CA-C 115.577 1.337 . . . . 1.04 115.577 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.1 p80 -90.75 119.09 30.69 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.559 -1.338 . . . . 2.3599999999999999 109.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -74.71 157.67 34.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.912 -0.493 . . . . 3.7200000000000002 109.847 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.8 t -130.99 130.06 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 CA-C-O 121.177 0.513 . . . . 1.8 109.757 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 78' ' ' GLY . 80.8 p -96.17 164.61 12.6 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.345 -0.847 . . . . 1.78 109.628 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.44 0.13 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.4 -0.812 . . . . 1.22 109.759 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -110.97 -30.12 3.3 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.487 -1.445 . . . . 0.55000000000000004 109.487 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.33 127.14 38.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -1.149 . . . . 2.8900000000000001 109.787 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -130.72 150.54 51.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.847 -0.533 . . . . 0.5 110.205 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.522 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.0 m -122.58 -49.92 2.0 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.966 -0.459 . . . . 0.97999999999999998 111.547 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.465 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 t -95.3 -4.42 45.59 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.886 -1.134 . . . . 1.02 112.462 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.21 28.34 0.84 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.454 -1.404 . . . . 1.9399999999999999 110.605 -179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -79.86 -33.89 39.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 1.24 109.262 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.35 152.38 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.457 -0.777 . . . . 2.1899999999999999 109.347 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -93.07 66.86 4.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 3.7400000000000002 110.092 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.5 171.16 14.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.947 . . . . 1.3400000000000001 108.956 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 154.93 18.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 1.9299999999999999 109.021 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -83.49 152.07 25.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.413 -0.805 . . . . 2.0499999999999998 109.592 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.04 160.01 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.462 -0.569 . . . . 1.0700000000000001 109.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.57 143.1 58.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.215 -0.928 . . . . 1.8799999999999999 109.505 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.54 -41.61 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.046 -1.034 . . . . 1.0800000000000001 109.245 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.82 -41.33 32.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 1.1000000000000001 109.622 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.76 -36.87 62.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.006 -1.059 . . . . 2.5099999999999998 109.792 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 41.9 t80 -59.91 -47.56 85.29 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.508 -0.745 . . . . 0.28999999999999998 109.692 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.51 -49.17 84.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.307 -0.871 . . . . 1.0900000000000001 109.419 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -60.1 -49.17 78.71 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.404 -0.81 . . . . 2.1400000000000001 109.924 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.1 -40.67 81.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.778 -1.201 . . . . 1.0700000000000001 109.07 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.61 -39.85 91.99 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.4 -0.812 . . . . 1.0700000000000001 109.024 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 tp -52.87 -44.61 66.96 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.042 -1.036 . . . . 1.0900000000000001 110.726 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.41 -44.85 89.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.674 -1.267 . . . . 1.1899999999999999 110.101 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.68 -35.61 75.28 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.981 -1.075 . . . . 0.32000000000000001 110.971 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.38 -56.61 19.92 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.169 -1.582 . . . . 1.0900000000000001 110.694 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.4 pttt -66.89 -20.64 65.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.749 -1.22 . . . . 2.23 109.875 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.18 -49.78 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 2.3700000000000001 110.723 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.2 mm? -64.18 -25.24 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.022 -1.049 . . . . 1.1100000000000001 109.96 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.82 -39.91 86.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.004 -1.06 . . . . 0.42999999999999999 109.044 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -60.31 -39.12 85.85 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.403 -0.81 . . . . 3.7200000000000002 109.831 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 111' ' ' ARG . 38.8 mt-10 -85.76 -3.91 59.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 1.9399999999999999 109.954 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.21 8.2 3.22 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.486 -1.446 . . . . 0.41999999999999998 109.486 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 109' ' ' GLU . 73.2 mtt180 -93.14 93.83 8.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.384 -1.068 . . . . 3.3999999999999999 108.564 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 113' ' ' ASN . 40.8 m-85 -89.34 131.1 35.58 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.031 -0.729 . . . . 0.57999999999999996 109.031 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 112' ' ' PHE . 1.3 m-20 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 118.183 -0.913 . . . . 3.7599999999999998 109.132 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.967 -0.753 . . . . 4.23 108.967 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.96 171.38 45.52 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.894 -1.682 . . . . 1.55 108.894 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -55.21 159.73 9.6 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 121.116 1.211 . . . . 1.14 111.859 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 4' ' ' VAL . 12.9 m -79.12 147.54 69.68 Favored Pre-proline 0 C--N 1.304 -1.381 0 O-C-N 121.018 -1.051 . . . . 0.89 108.656 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.6 162.96 9.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 CA-C-N 119.941 1.015 . . . . 0.63 112.83 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -46.81 14.39 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 120.954 1.103 . . . . 0.63 112.531 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -62.29 -39.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.871 . . . . 0.36 109.815 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.3 m -68.83 -42.01 77.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.067 -1.02 . . . . 0.4 109.922 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.16 92.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.123 -0.985 . . . . 0.29 109.274 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.6 tp -63.22 -49.93 72.26 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.234 -0.916 . . . . 0.82 110.653 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -59.86 -44.24 94.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.979 -1.075 . . . . 3.1 109.11 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -60.01 -37.64 80.3 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.099 -1.074 . . . . 1.92 108.099 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.66 -47.85 61.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.308 -0.87 . . . . 0.32 109.411 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.3 -48.39 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.888 -1.133 . . . . 0.25 109.386 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.08 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.833 -1.167 . . . . 1.9 109.48 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.07 -45.03 67.91 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.023 -1.048 . . . . 1.68 110.403 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.02 -46.1 90.62 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.074 -1.017 . . . . 0.32 110.105 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -60.6 -49.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.297 -0.877 . . . . 0.32 109.287 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -50.95 -48.18 61.01 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 1.93 111.421 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.02 -13.15 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.8 -1.187 . . . . 0.4 111.619 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 HG11 ' A' ' 96' ' ' VAL . 37.2 p -101.94 -13.25 17.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.346 -0.847 . . . . 0.36 110.951 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.7 -39.55 17.09 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.522 -1.361 . . . . 1.95 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -94.45 11.28 31.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.279 -0.888 . . . . 2.3 109.885 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -81.7 128.21 33.73 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.858 -1.151 . . . . 1.81 108.581 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -88.19 -80.01 0.29 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.108 -1.071 . . . . 2.46 108.108 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.06 170.48 15.66 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 108.037 -1.097 . . . . 1.11 108.037 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 3.8 Cg_exo -57.13 147.91 72.77 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 CA-C-N 119.202 0.751 . . . . 0.93 111.785 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.04 -51.41 69.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 1.06 108.961 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' GLY . 84.2 m -89.55 168.64 12.01 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.797 -0.816 . . . . 0.47 108.797 179.215 -67.537 -75.476 156.342 104.226 2.02 103.829 -157.41 -59.797 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.06 54.63 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.116 -0.99 . . . . 2.17 109.036 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.41 23.85 77.19 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.19 -1.564 . . . . 0.31 109.19 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.4 m -61.81 150.01 38.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.256 -1.143 . . . . 0.35 108.833 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 77.9 mtp -118.6 155.49 30.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.756 -0.831 . . . . 0.89 108.756 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.01 160.03 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.48 0.657 . . . . 0.25 109.246 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.96 134.82 43.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.552 -0.718 . . . . 0.37 110.235 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -70.29 150.3 46.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.615 -0.883 . . . . 0.97 108.615 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 pt -133.71 171.34 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.696 -0.628 . . . . 0.28 109.773 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 121.1 32.5 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.686 -0.857 . . . . 2.23 108.686 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -81.01 105.36 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.166 -0.959 . . . . 0.36 109.206 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.4 p -138.29 -100.03 0.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.602 -0.686 . . . . 0.69 109.621 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.95 -64.82 1.21 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.697 -0.627 . . . . 0.64 110.19 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.62 38.56 0.22 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.916 -1.274 . . . . 0.37 109.916 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' H ' ' C ' ' A' ' 41' ' ' ALA . 64.7 mtm -60.88 -45.56 94.11 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -1.22 . . . . 0.72 109.802 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -57.05 -47.18 81.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.654 -0.654 . . . . 0.35 109.896 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.8 -50.96 45.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.58 109.79 -179.741 -65.19 -57.267 117.167 104.265 2.021 104.372 87.055 -170.158 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.2 94.9 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.071 -1.018 . . . . 0.19 108.695 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.1 93.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.422 -0.799 . . . . 0.21 109.874 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.48 -54.43 45.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.25 110.717 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.0 pt-20 -56.2 -34.06 65.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.91 -1.119 . . . . 1.23 109.955 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -66.32 -40.75 90.12 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.924 -1.11 . . . . 1.36 109.456 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.91 -33.83 72.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.307 -0.87 . . . . 0.3 109.693 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 mm -55.07 -16.8 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.348 -0.845 . . . . 0.36 108.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.76 -16.57 44.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.757 -1.214 . . . . 1.2 109.439 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -91.19 122.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.179 -0.95 . . . . 0.33 109.203 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -128.06 145.12 51.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 121.234 0.54 . . . . 0.59 109.704 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.51 1.46 59.05 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.904 -1.278 . . . . 0.77 109.904 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.4 m -110.73 94.89 5.23 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.763 -0.845 . . . . 0.37 109.779 179.939 -59.797 -157.41 156.342 103.829 2.02 104.226 -75.476 -67.537 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -73.58 -30.26 62.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.119 -0.988 . . . . 0.61 109.485 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.89 -24.91 6.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 0.61 110.215 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.6 pt -109.36 -0.24 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.685 -0.634 . . . . 0.5 110.54 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.15 -49.42 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.737 -1.227 . . . . 2.26 109.228 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.05 -38.68 83.5 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.493 -0.755 . . . . 1.84 109.216 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 m -57.74 -42.67 84.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.25 109.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.01 -39.9 87.39 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.924 -1.11 . . . . 1.52 108.905 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -63.68 -49.99 71.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 3.77 110.529 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.52 -40.03 89.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.003 -1.06 . . . . 0.66 109.657 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.75 -40.03 93.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.24 109.023 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -58.43 -37.08 74.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.39 109.284 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.74 -30.37 21.0 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.427 -1.469 . . . . 0.32 109.427 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.43 -5.71 39.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -1.135 . . . . 0.48 109.229 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 30.8 t -135.94 87.02 25.32 Favored Pre-proline 0 N--CA 1.492 1.664 0 N-CA-C 109.26 -0.644 . . . . 1.28 109.26 -178.561 -170.158 87.055 117.167 104.372 2.021 104.265 -57.267 -65.19 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -61.43 -15.33 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 N-CA-C 115.577 1.337 . . . . 1.04 115.577 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.1 p80 -90.75 119.09 30.69 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.559 -1.338 . . . . 1.53 109.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -74.71 157.67 34.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.912 -0.493 . . . . 3.26 109.847 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.8 t -130.99 130.06 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 CA-C-O 121.177 0.513 . . . . 1.2 109.757 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 78' ' ' GLY . 80.8 p -96.17 164.61 12.6 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.345 -0.847 . . . . 1.38 109.628 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.44 0.13 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.4 -0.812 . . . . 0.53 109.759 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -110.97 -30.12 3.3 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.487 -1.445 . . . . 0.51 109.487 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.33 127.14 38.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -1.149 . . . . 2.15 109.787 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' CD1' HD13 ' A' ' 83' ' ' LEU . 76.2 m-85 -130.72 150.54 51.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.847 -0.533 . . . . 0.45 110.205 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.522 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.0 m -122.58 -49.92 2.0 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.966 -0.459 . . . . 0.53 111.547 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.515 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 t -95.3 -4.42 45.59 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.886 -1.134 . . . . 0.44 112.462 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -86.21 28.34 0.84 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.454 -1.404 . . . . 1.3 110.605 -179.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -79.86 -33.89 39.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.9 109.262 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.35 152.38 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.457 -0.777 . . . . 1.54 109.347 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -93.07 66.86 4.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 3.16 110.092 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.5 171.16 14.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.947 . . . . 1.34 108.956 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 154.93 18.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 1.28 109.021 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -83.49 152.07 25.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.413 -0.805 . . . . 1.49 109.592 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.04 160.01 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.462 -0.569 . . . . 0.27 109.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.57 143.1 58.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.215 -0.928 . . . . 1.88 109.505 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.54 -41.61 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.046 -1.034 . . . . 0.24 109.245 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.82 -41.33 32.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.31 109.622 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.76 -36.87 62.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.006 -1.059 . . . . 2.05 109.792 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 41.9 t80 -59.91 -47.56 85.29 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.508 -0.745 . . . . 0.25 109.692 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 21' ' ' THR . 68.6 t -62.51 -49.17 84.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.307 -0.871 . . . . 0.25 109.419 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -60.1 -49.17 78.71 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.404 -0.81 . . . . 1.52 109.924 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.1 -40.67 81.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.778 -1.201 . . . . 1.07 109.07 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.61 -39.85 91.99 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.4 -0.812 . . . . 0.3 109.024 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 tp -52.87 -44.61 66.96 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.042 -1.036 . . . . 0.3 110.726 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HE3' ' A' ' 104' ' ' LYS . 4.3 mm? -58.41 -44.85 89.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.674 -1.267 . . . . 0.47 110.101 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.68 -35.61 75.28 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.981 -1.075 . . . . 0.3 110.971 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.38 -56.61 19.92 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.169 -1.582 . . . . 0.25 110.694 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HE3' HD13 ' A' ' 101' ' ' LEU . 35.4 pttt -66.89 -20.64 65.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.749 -1.22 . . . . 1.73 109.875 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.18 -49.78 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 1.85 110.723 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.2 mm? -64.18 -25.24 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.022 -1.049 . . . . 0.34 109.96 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.82 -39.91 86.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.004 -1.06 . . . . 0.36 109.044 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -60.31 -39.12 85.85 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.403 -0.81 . . . . 3.13 109.831 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 111' ' ' ARG . 38.8 mt-10 -85.76 -3.91 59.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 1.94 109.954 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.21 8.2 3.22 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.486 -1.446 . . . . 0.42 109.486 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 109' ' ' GLU . 73.2 mtt180 -93.14 93.83 8.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.384 -1.068 . . . . 2.86 108.564 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 113' ' ' ASN . 40.8 m-85 -89.34 131.1 35.58 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.031 -0.729 . . . . 0.58 109.031 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 112' ' ' PHE . 1.3 m-20 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 118.183 -0.913 . . . . 3.05 109.132 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 108.967 -0.753 . . . . 4.23 108.967 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.96 171.38 45.52 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 108.894 -1.682 . . . . 1.55 108.894 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -55.21 159.73 9.6 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 121.116 1.211 . . . . 1.14 111.859 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 4' ' ' VAL . 12.9 m -79.12 147.54 69.68 Favored Pre-proline 0 C--N 1.304 -1.381 0 O-C-N 121.018 -1.051 . . . . 0.89 108.656 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -57.6 162.96 9.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 CA-C-N 119.941 1.015 . . . . 0.63 112.83 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -46.81 14.39 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 120.954 1.103 . . . . 0.63 112.531 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -62.29 -39.94 94.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.306 -0.871 . . . . 0.36 109.815 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.3 m -68.83 -42.01 77.77 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.067 -1.02 . . . . 0.4 109.922 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.16 92.71 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.123 -0.985 . . . . 0.29 109.274 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.6 tp -63.22 -49.93 72.26 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.234 -0.916 . . . . 0.82 110.653 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -59.86 -44.24 94.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.979 -1.075 . . . . 3.1 109.11 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -60.01 -37.64 80.3 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.099 -1.074 . . . . 1.92 108.099 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -69.66 -47.85 61.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.308 -0.87 . . . . 0.32 109.411 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -60.3 -48.39 88.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.888 -1.133 . . . . 0.25 109.386 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.08 87.72 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 120.833 -1.167 . . . . 1.9 109.48 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -70.07 -45.03 67.91 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.023 -1.048 . . . . 1.68 110.403 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.02 -46.1 90.62 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.074 -1.017 . . . . 0.32 110.105 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t -60.6 -49.7 83.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.297 -0.877 . . . . 0.32 109.287 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -50.95 -48.18 61.01 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.385 -0.822 . . . . 1.93 111.421 -178.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.9 pt -75.02 -13.15 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 120.8 -1.187 . . . . 0.4 111.619 -178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 HG11 ' A' ' 96' ' ' VAL . 37.2 p -101.94 -13.25 17.68 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.346 -0.847 . . . . 0.36 110.951 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.7 -39.55 17.09 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.522 -1.361 . . . . 1.95 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -94.45 11.28 31.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.279 -0.888 . . . . 2.3 109.885 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -81.7 128.21 33.73 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.858 -1.151 . . . . 1.81 108.581 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -88.19 -80.01 0.29 Allowed 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.108 -1.071 . . . . 2.46 108.108 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 27' ' ' PRO . . . -80.06 170.48 15.66 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 108.037 -1.097 . . . . 1.11 108.037 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 26' ' ' ALA . 3.8 Cg_exo -57.13 147.91 72.77 Favored 'Trans proline' 0 C--N 1.314 -1.281 0 CA-C-N 119.202 0.751 . . . . 0.93 111.785 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.04 -51.41 69.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.123 -0.986 . . . . 1.06 108.961 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' GLY . 84.2 m -89.55 168.64 12.01 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.797 -0.816 . . . . 0.47 108.797 179.215 -67.537 -75.476 156.342 104.226 2.02 103.829 -157.41 -59.797 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -69.06 54.63 0.09 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.116 -0.99 . . . . 2.17 109.036 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 70.41 23.85 77.19 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.19 -1.564 . . . . 0.31 109.19 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.4 m -61.81 150.01 38.4 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.256 -1.143 . . . . 0.35 108.833 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 77.9 mtp -118.6 155.49 30.86 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.756 -0.831 . . . . 0.89 108.756 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.01 160.03 41.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 CA-C-O 121.48 0.657 . . . . 0.25 109.246 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.96 134.82 43.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.552 -0.718 . . . . 0.37 110.235 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.0 p -70.29 150.3 46.52 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.615 -0.883 . . . . 0.97 108.615 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.4 pt -133.71 171.34 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.696 -0.628 . . . . 0.28 109.773 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 121.1 32.5 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.686 -0.857 . . . . 2.23 108.686 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD22 ' N ' ' A' ' 39' ' ' LEU . 2.8 mm? -81.01 105.36 12.17 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.166 -0.959 . . . . 0.36 109.206 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 43' ' ' MET . 75.4 p -138.29 -100.03 0.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.602 -0.686 . . . . 0.69 109.621 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 43' ' ' MET . . . -109.95 -64.82 1.21 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.697 -0.627 . . . . 0.64 110.19 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.62 38.56 0.22 Allowed Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.916 -1.274 . . . . 0.37 109.916 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' H ' ' C ' ' A' ' 41' ' ' ALA . 64.7 mtm -60.88 -45.56 94.11 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.126 -1.22 . . . . 0.72 109.802 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -57.05 -47.18 81.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.654 -0.654 . . . . 0.35 109.896 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.8 -50.96 45.88 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.225 -0.922 . . . . 0.58 109.79 -179.741 -65.19 -57.267 117.167 104.265 2.021 104.372 87.055 -170.158 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.2 94.9 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.071 -1.018 . . . . 0.19 108.695 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.1 93.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.422 -0.799 . . . . 0.21 109.874 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.48 -54.43 45.58 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.287 -0.883 . . . . 0.25 110.717 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 82' ' ' SER . 9.0 pt-20 -56.2 -34.06 65.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.91 -1.119 . . . . 1.23 109.955 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -66.32 -40.75 90.12 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.924 -1.11 . . . . 1.36 109.456 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.91 -33.83 72.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.307 -0.87 . . . . 0.3 109.693 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 21.8 mm -55.07 -16.8 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.348 -0.845 . . . . 0.36 108.942 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -83.76 -16.57 44.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.757 -1.214 . . . . 1.2 109.439 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.0 t -91.19 122.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.179 -0.95 . . . . 0.33 109.203 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.9 m -128.06 145.12 51.09 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-O 121.234 0.54 . . . . 0.59 109.704 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.51 1.46 59.05 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.904 -1.278 . . . . 0.77 109.904 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.4 m -110.73 94.89 5.23 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.763 -0.845 . . . . 0.37 109.779 179.939 -59.797 -157.41 156.342 103.829 2.02 104.226 -75.476 -67.537 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.4 t -73.58 -30.26 62.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.119 -0.988 . . . . 0.61 109.485 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.89 -24.91 6.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.215 -0.928 . . . . 0.61 110.215 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.6 pt -109.36 -0.24 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.685 -0.634 . . . . 0.5 110.54 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.15 -49.42 75.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.737 -1.227 . . . . 2.26 109.228 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.05 -38.68 83.5 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.493 -0.755 . . . . 1.84 109.216 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.2 m -57.74 -42.67 84.37 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.319 -0.863 . . . . 0.25 109.127 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -60.01 -39.9 87.39 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.924 -1.11 . . . . 1.52 108.905 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -63.68 -49.99 71.0 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.231 -0.918 . . . . 3.77 110.529 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 73.0 mtm -60.52 -40.03 89.97 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.003 -1.06 . . . . 0.66 109.657 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.7 mt -61.75 -40.03 93.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.24 109.023 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -58.43 -37.08 74.66 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.199 -0.938 . . . . 0.39 109.284 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -50.74 -30.37 21.0 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.427 -1.469 . . . . 0.32 109.427 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -96.43 -5.71 39.05 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -1.135 . . . . 0.48 109.229 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.612 ' SG ' ' CD2' ' A' ' 73' ' ' HIS . 30.8 t -135.94 87.02 25.32 Favored Pre-proline 0 N--CA 1.492 1.664 0 N-CA-C 109.26 -0.644 . . . . 1.28 109.26 -178.561 -170.158 87.055 117.167 104.372 2.021 104.265 -57.267 -65.19 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -61.43 -15.33 40.22 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 N-CA-C 115.577 1.337 . . . . 1.04 115.577 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' CD2' ' SG ' ' A' ' 71' ' ' CYS . 10.1 p80 -90.75 119.09 30.69 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.559 -1.338 . . . . 1.53 109.274 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -74.71 157.67 34.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.912 -0.493 . . . . 3.26 109.847 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.8 t -130.99 130.06 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 CA-C-O 121.177 0.513 . . . . 1.2 109.757 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' H ' ' A' ' 78' ' ' GLY . 80.8 p -96.17 164.61 12.6 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.345 -0.847 . . . . 1.38 109.628 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.44 0.13 1.14 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.4 -0.812 . . . . 0.53 109.759 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 76' ' ' SER . . . -110.97 -30.12 3.3 Favored Glycine 0 N--CA 1.495 2.612 0 N-CA-C 109.487 -1.445 . . . . 0.51 109.487 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -93.33 127.14 38.81 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.248 -1.149 . . . . 2.15 109.787 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' CD1' HD13 ' A' ' 83' ' ' LEU . 76.2 m-85 -130.72 150.54 51.86 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.847 -0.533 . . . . 0.45 110.205 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.522 ' O ' ' NE2' ' A' ' 84' ' ' HIS . 19.0 m -122.58 -49.92 2.0 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.966 -0.459 . . . . 0.53 111.547 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.515 ' H ' ' CD ' ' A' ' 49' ' ' GLU . 7.6 t -95.3 -4.42 45.59 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.886 -1.134 . . . . 0.44 112.462 -177.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD13 ' CD1' ' A' ' 80' ' ' PHE . 0.9 OUTLIER -86.21 28.34 0.84 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.454 -1.404 . . . . 1.3 110.605 -179.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.522 ' NE2' ' O ' ' A' ' 81' ' ' SER . 2.4 m-70 -79.86 -33.89 39.75 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.175 -0.953 . . . . 0.9 109.262 179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.35 152.38 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.457 -0.777 . . . . 1.54 109.347 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -93.07 66.86 4.18 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 3.16 110.092 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.5 171.16 14.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.947 . . . . 1.34 108.956 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.51 154.93 18.15 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.22 -0.925 . . . . 1.28 109.021 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -83.49 152.07 25.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.413 -0.805 . . . . 1.49 109.592 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.6 pt -130.04 160.01 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.462 -0.569 . . . . 0.27 109.462 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.57 143.1 58.16 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.215 -0.928 . . . . 1.88 109.505 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.54 -41.61 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.046 -1.034 . . . . 0.24 109.245 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.82 -41.33 32.48 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.188 -0.945 . . . . 0.31 109.622 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -74.76 -36.87 62.57 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.006 -1.059 . . . . 2.05 109.792 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 41.9 t80 -59.91 -47.56 85.29 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.508 -0.745 . . . . 0.25 109.692 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG11 HG21 ' A' ' 21' ' ' THR . 68.6 t -62.51 -49.17 84.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.307 -0.871 . . . . 0.25 109.419 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -60.1 -49.17 78.71 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.404 -0.81 . . . . 1.52 109.924 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -58.1 -40.67 81.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.778 -1.201 . . . . 1.07 109.07 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.61 -39.85 91.99 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.4 -0.812 . . . . 0.3 109.024 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 tp -52.87 -44.61 66.96 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.042 -1.036 . . . . 0.3 110.726 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 HD13 ' HE3' ' A' ' 104' ' ' LYS . 4.3 mm? -58.41 -44.85 89.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.674 -1.267 . . . . 0.47 110.101 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -69.68 -35.61 75.28 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 120.981 -1.075 . . . . 0.3 110.971 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.38 -56.61 19.92 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.169 -1.582 . . . . 0.25 110.694 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.461 ' HE3' HD13 ' A' ' 101' ' ' LEU . 35.4 pttt -66.89 -20.64 65.95 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.749 -1.22 . . . . 1.73 109.875 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -62.18 -49.78 74.46 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.292 -0.88 . . . . 1.85 110.723 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 106' ' ' LEU . 2.2 mm? -64.18 -25.24 67.99 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.022 -1.049 . . . . 0.34 109.96 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.82 -39.91 86.67 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.004 -1.06 . . . . 0.36 109.044 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -60.31 -39.12 85.85 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.403 -0.81 . . . . 3.13 109.831 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 111' ' ' ARG . 38.8 mt-10 -85.76 -3.91 59.02 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.006 -1.059 . . . . 1.94 109.954 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.21 8.2 3.22 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 109.486 -1.446 . . . . 0.42 109.486 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 109' ' ' GLU . 73.2 mtt180 -93.14 93.83 8.49 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.384 -1.068 . . . . 2.86 108.564 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.441 ' O ' ' O ' ' A' ' 113' ' ' ASN . 40.8 m-85 -89.34 131.1 35.58 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 109.031 -0.729 . . . . 0.58 109.031 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 112' ' ' PHE . 1.3 m-20 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 118.183 -0.913 . . . . 3.05 109.132 -179.14 . . . . . . . . 1 1 . 1 stop_ save_