data_1d9m_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 1d9m _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' ' ' LYS . . . . . . . . . . . . . 6.5 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -126.93 121.53 32.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.167 -0.958 . . . . 0.0 110.047 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -16.11 21.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.76 -27.65 40.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.529 -0.732 . . . . 0.0 110.353 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -17.91 3.9 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.408 0.623 . . . . 0.0 110.767 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -126.51 34.56 4.79 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.337 -0.852 . . . . 0.0 109.809 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.56 -29.12 0.97 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.2 -0.937 . . . . 0.0 111.213 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.538 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 1.4 mp -60.82 -55.29 46.17 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.04 . . . . 0.0 111.387 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 42.8 Cg_endo -66.64 56.07 0.46 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.532 1.28 . . . . 0.0 111.039 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 18.9 20.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -60.23 -34.04 73.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.197 -0.939 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.16 68.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.007 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 22.0 t-80 -69.83 -29.62 66.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -61.47 -52.24 65.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.943 . . . . 0.0 110.578 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . -64.27 -23.07 67.17 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.613 -0.679 . . . . 0.0 110.588 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.41 -20.66 4.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.179 -0.95 . . . . 0.0 110.305 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -84.68 -45.34 12.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.245 -0.909 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -125.07 -38.96 2.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.19 -0.944 . . . . 0.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.112 0.482 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 74.1 t-105 -155.82 -95.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -76.96 -3.25 37.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.939 -1.101 . . . . 0.0 110.567 -179.498 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' O ' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -86.19 0.68 53.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 111.261 -179.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -12.59 59.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.859 -1.151 . . . . 0.0 111.02 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -93.24 8.08 41.73 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -118.24 -13.37 9.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD11 ' N ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -52.19 -46.47 93.77 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.591 -0.693 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 46.9 Cg_endo -73.66 80.4 2.04 Favored 'Trans proline' 0 C--N 1.31 -1.447 0 O-C-N 123.299 1.157 . . . . 0.0 110.803 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 20.35 5.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.279 -0.888 . . . . 0.0 109.493 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -66.01 -33.05 74.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.553 -0.717 . . . . 0.0 110.547 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.75 65.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 0.0 110.399 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -27.3 64.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -60.32 -15.26 23.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 109.866 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.87 48.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.522 -0.736 . . . . 0.0 109.81 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -68.79 -11.6 60.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 110.287 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -20.56 3.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 56.2 t80 -73.96 -3.65 30.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 110.477 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.136 0.493 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -165.38 -122.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.15 -0.969 . . . . 0.0 110.443 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -45.84 -23.79 0.32 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 110.755 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' HB3' ' CD1' ' A' ' 8' ' ' ILE . 1.6 mt -45.6 -25.28 0.44 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 9' ' ' PRO . 81.3 t80 -71.43 -6.84 43.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.514 -0.741 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.17 15.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.126 -0.984 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 13.74 18.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.032 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.585 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 9.0 mt -112.34 -67.97 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.312 -0.867 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 47.8 Cg_endo -71.27 46.2 0.7 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.16 1.084 . . . . 0.0 111.886 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.07 -14.44 58.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.857 -1.152 . . . . 0.0 108.507 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -47.2 67.04 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.744 -0.597 . . . . 0.0 109.926 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -21.53 0.64 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 110.394 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.44 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 40.0 t-80 -58.56 -30.17 66.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 110.724 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.88 -20.07 63.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.142 -0.974 . . . . 0.0 110.152 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -17.51 60.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.99 -24.49 16.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 110.257 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -71.16 -26.58 63.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -0.993 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -79.74 -40.33 29.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.228 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mttt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.3 0.571 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -84.04 27.58 0.65 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.261 -0.9 . . . . 0.0 111.183 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -25.42 53.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.922 -1.111 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HA ' ' CD ' ' A' ' 7' ' ' LYS . 2.7 pp -85.98 -4.27 59.13 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.538 -0.726 . . . . 0.0 110.461 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -12.11 61.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 110.724 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -115.8 29.61 7.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.443 -0.785 . . . . 0.0 111.083 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' CD ' ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -138.47 15.37 2.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.879 -1.138 . . . . 0.0 110.642 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.511 HD11 HG21 ' A' ' 8' ' ' ILE . 26.4 mm -110.88 93.78 18.27 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 109.975 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 55.0 Cg_endo -80.89 27.76 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 O-C-N 124.12 1.589 . . . . 0.0 111.433 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -45.43 -33.02 2.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.679 -1.263 . . . . 0.0 109.741 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -68.1 -48.04 66.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.61 -14.71 63.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.016 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -48.7 -34.95 12.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.77 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -69.66 -21.46 63.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -16.92 64.16 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -61.37 -13.48 20.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -56.76 -28.02 60.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -78.45 -62.03 1.82 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.2 0.524 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -147.37 21.77 1.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.125 -0.985 . . . . 0.0 110.334 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -3.33 19.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.055 -1.028 . . . . 0.0 110.212 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.04 -5.7 23.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.397 -0.815 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.86 -9.5 45.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.417 -0.802 . . . . 0.0 109.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -29.83 70.91 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.471 ' O ' HD11 ' A' ' 8' ' ' ILE . 11.8 tttp -104.81 67.18 0.8 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 7' ' ' LYS . 35.1 mm -130.31 121.03 19.28 Favored Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.587 -0.696 . . . . 0.0 109.778 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.74 3.7 5.76 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.837 1.441 . . . . 0.0 110.96 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.31 18.79 3.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.226 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -61.06 -43.55 98.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.0 109.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 110.074 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -23.88 66.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.704 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 48.5 t -78.17 -8.23 58.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.865 . . . . 0.0 109.633 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 12' ' ' LEU . . . -76.3 -10.51 59.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.491 -0.756 . . . . 0.0 109.763 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -9.71 29.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.1 pttt -67.63 -7.49 27.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -72.7 -72.23 0.25 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.223 -0.923 . . . . 0.0 110.422 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.49 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.2 0.524 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CE3' ' HD3' ' A' ' 1' ' ' LYS . 21.6 p90 -111.41 -25.46 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -72.17 -4.54 29.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.229 -0.919 . . . . 0.0 110.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -72.96 -18.15 61.41 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.832 0.825 . . . . 0.0 109.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -62.5 -10.87 13.2 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.736 -0.603 . . . . 0.0 110.602 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.99 4.52 16.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 8.3 mmtp -64.34 -58.15 7.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.9 . . . . 0.0 110.127 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.583 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 1.4 mp -102.51 102.76 27.66 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.886 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.5 Cg_endo -77.04 9.22 2.83 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 124.022 1.538 . . . . 0.0 111.06 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.6 tptp -44.92 -24.59 0.23 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.924 -1.11 . . . . 0.0 109.765 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -64.73 -63.57 1.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.935 0.874 . . . . 0.0 108.915 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.613 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 4.1 pp -70.78 -3.22 17.69 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.367 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -68.3 -33.77 74.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.096 -1.003 . . . . 0.0 109.979 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -76.59 -13.99 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 18' ' ' PHE . . . -78.53 -17.56 56.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.539 -0.726 . . . . 0.0 109.787 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -15.18 62.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.461 -0.774 . . . . 0.0 110.101 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 3.92 36.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 0.0 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.57 -12.86 61.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.921 . . . . 0.0 109.801 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.135 0.493 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 2.8 p90 -138.59 4.56 2.37 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.171 -0.955 . . . . 0.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -66.67 -7.5 21.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.98 . . . . 0.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.13 -1.21 54.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -80.2 -5.17 55.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.77 4.4 25.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' HD2' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -99.07 -0.97 40.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.098 -1.001 . . . . 0.0 110.411 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.506 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 20.8 mm -93.21 126.72 49.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.963 . . . . 0.0 109.887 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -76.39 96.25 1.07 Allowed 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.86 1.453 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' CE ' ' HB ' ' A' ' 8' ' ' ILE . 1.4 mttm -96.88 10.21 39.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.266 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.4 t80 -66.05 -40.95 91.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 110.35 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -16.64 64.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.222 -0.924 . . . . 0.0 110.129 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -78.4 -22.91 47.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 109.982 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -7.11 29.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.039 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.3 -11.03 59.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 109.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -70.51 -7.91 47.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.469 -0.769 . . . . 0.0 110.33 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -58.71 -26.66 64.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.301 -0.874 . . . . 0.0 110.12 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.0 t80 -112.31 39.61 2.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.229 0.537 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.511 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -165.33 62.32 0.12 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.481 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -71.46 -6.43 40.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.894 . . . . 0.0 110.402 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.1 mt -85.85 -2.1 57.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.281 -0.887 . . . . 0.0 110.646 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -70.34 -5.55 28.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.353 -0.842 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -89.78 -16.41 30.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.391 -0.818 . . . . 0.0 111.049 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HG3' HG12 ' A' ' 8' ' ' ILE . 8.6 pttt -142.97 6.78 1.59 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.934 -1.104 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG12 ' HG3' ' A' ' 7' ' ' LYS . 28.2 mm -130.78 97.9 20.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 49.6 Cg_endo -78.96 44.44 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.909 1.478 . . . . 0.0 110.657 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -50.68 -28.86 9.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.076 -1.015 . . . . 0.0 109.839 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.79 -28.68 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.986 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 1.1 mp -63.64 -41.9 98.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.837 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.54 -32.44 28.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 0.0 109.858 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -71.03 -23.41 62.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 109.549 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.5 -5.94 40.39 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.623 -0.673 . . . . 0.0 109.828 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -55.72 -25.51 40.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.841 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -53.28 -26.47 18.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.887 . . . . 0.0 109.828 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -54.31 -40.5 68.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.0 110.218 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.268 0.556 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.67 130.01 41.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 110.176 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -2.64 26.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.303 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.3 mt -85.31 5.88 28.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.877 . . . . 0.0 110.203 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -10.99 60.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.176 -0.952 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -99.85 25.89 6.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -88.73 -65.63 1.0 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 110.463 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.527 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -66.04 -56.55 16.48 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.27 -0.894 . . . . 0.0 110.214 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 44.1 Cg_endo -70.41 58.83 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.604 1.318 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -56.1 -27.23 52.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.361 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.6 t80 -69.12 -40.51 78.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 1.1 mp -41.75 -30.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 0.0 110.473 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -47.26 -34.27 6.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 110.217 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t -75.72 -0.7 21.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.93 . . . . 0.0 110.222 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -70.5 -18.78 62.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 0.0 109.922 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -30.91 6.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.378 -0.826 . . . . 0.0 110.172 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -24.24 14.53 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.205 -0.934 . . . . 0.0 110.247 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -79.02 -38.29 36.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 tttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.34 0.59 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -161.17 -70.64 0.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -10.29 59.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.87 12.46 9.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 37.2 t80 -67.19 -7.35 23.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -101.83 26.63 7.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 109.706 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 14.9 ttpt -109.21 -0.43 19.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.451 -0.781 . . . . 0.0 110.071 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.533 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 4.6 mt -49.1 -56.6 14.82 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.31 -0.869 . . . . 0.0 110.749 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 44.3 Cg_endo -69.21 96.14 0.53 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 O-C-N 123.689 1.362 . . . . 0.0 111.61 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -74.91 -3.56 32.84 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.249 -0.907 . . . . 0.0 109.226 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.85 -36.61 70.23 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.519 -0.738 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 12' ' ' LEU . 2.2 mm? -70.02 -40.25 75.33 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.25 -0.906 . . . . 0.0 109.997 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -28.45 24.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -17.52 59.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 109.965 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.69 54.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.54 -0.725 . . . . 0.0 109.974 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -18.99 61.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.363 -0.836 . . . . 0.0 110.195 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -51.6 -33.12 31.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 110.327 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -53.81 -51.48 63.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.303 0.573 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.26 -158.73 0.68 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.14 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.87 -3.16 14.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.947 . . . . 0.0 110.232 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -55.86 -18.65 9.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 0.0 110.255 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.481 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -80.29 -22.68 41.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.477 -0.765 . . . . 0.0 109.957 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -92.94 2.22 56.9 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.545 0.688 . . . . 0.0 109.482 179.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 1.8 ptpm? -139.61 36.55 2.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.545 -0.722 . . . . 0.0 109.814 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.601 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 54.7 mt -44.54 -48.18 26.82 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.644 -0.66 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 40.5 Cg_endo -68.28 83.64 0.47 Allowed 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.327 1.172 . . . . 0.0 110.646 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -21.92 0.73 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 0.0 109.657 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -47.73 -32.52 5.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.367 -0.833 . . . . 0.0 109.253 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -18.98 5.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.407 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 14.2 t60 -45.3 -37.12 4.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.422 -0.799 . . . . 0.0 109.779 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -58.26 -16.14 12.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -7.0 37.56 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.627 -0.671 . . . . 0.0 110.08 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -56.48 -27.48 57.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.858 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -5.34 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.87 -55.1 9.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 110.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.27 0.557 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.89 141.91 43.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -76.51 -10.41 59.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.81 1.67 45.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.469 -0.769 . . . . 0.0 110.139 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -9.03 47.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -72.05 -1.99 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.392 -0.818 . . . . 0.0 110.825 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.24 -67.24 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 110.743 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 38.1 mm -44.46 103.88 0.36 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 110.414 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.1 Cg_endo -76.65 67.6 7.23 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 O-C-N 124.107 1.583 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -1.0 53.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 109.984 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -32.57 74.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.591 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.77 -38.64 72.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.846 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 13' ' ' HIS . 11.7 t-160 -73.4 -20.37 60.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -9.35 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.281 -0.887 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -19.18 64.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.398 -0.814 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -67.48 -8.3 32.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.38 -0.825 . . . . 0.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -28.04 8.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.029 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -70.5 0.16 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.013 -1.055 . . . . 0.0 110.336 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.791 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.382 0.611 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -158.21 -138.36 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.459 -0.776 . . . . 0.0 109.313 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -22.15 0.88 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.858 -1.151 . . . . 0.0 110.122 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mp -69.76 -3.9 17.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.533 -0.729 . . . . 0.0 110.31 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -22.48 1.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.73 11.3 34.11 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.586 -0.696 . . . . 0.0 111.518 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 16.6 tttp -109.8 -23.96 11.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.691 -1.256 . . . . 0.0 110.464 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 72.7 mt -65.63 -54.33 30.7 Favored Pre-proline 0 C--N 1.302 -1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 41.7 Cg_endo -66.26 -4.43 10.52 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 123.375 1.198 . . . . 0.0 111.859 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 7.9 mmtt -55.45 -19.33 9.09 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.77 -1.207 . . . . 0.0 109.954 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.422 ' O ' ' OG ' ' A' ' 14' ' ' SER . 85.8 t80 -67.5 -46.44 72.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.261 -0.9 . . . . 0.0 110.599 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -44.7 -30.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.158 -0.964 . . . . 0.0 110.124 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 t-80 -71.14 -39.44 71.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.203 -0.936 . . . . 0.0 109.802 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -73.16 -23.67 60.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 0.0 110.09 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.02 -5.79 50.15 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.518 -0.739 . . . . 0.0 110.112 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.53 -22.36 63.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.097 -1.002 . . . . 0.0 109.993 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -13.73 26.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 0.0 110.075 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.95 -22.51 17.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.213 -0.929 . . . . 0.0 110.182 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.814 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.409 0.623 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -135.03 -72.86 0.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.396 -0.815 . . . . 0.0 109.598 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -78.63 -2.22 37.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.957 -1.089 . . . . 0.0 109.804 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.42 -3.23 32.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.389 -0.82 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -13.9 10.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 110.194 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -8.47 45.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -91.05 -39.42 12.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.332 -0.855 . . . . 0.0 110.227 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.521 HD11 HG22 ' A' ' 8' ' ' ILE . 42.9 mm -117.35 87.46 24.68 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -81.71 61.88 8.08 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 124.058 1.557 . . . . 0.0 110.999 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -45.65 -28.71 1.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.059 -1.026 . . . . 0.0 109.312 179.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.52 -53.62 18.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -70.15 -5.39 26.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 0.0 110.005 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 10.2 t-80 -63.09 -36.06 82.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -16.56 62.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.262 -0.899 . . . . 0.0 109.656 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -19.65 61.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.668 -0.645 . . . . 0.0 109.806 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -32.18 63.29 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.308 -0.87 . . . . 0.0 109.354 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.76 -12.05 60.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.554 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 13.8 t80 -81.39 7.0 12.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tptm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.197 0.523 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -162.82 71.45 0.29 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.438 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -9.74 30.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.138 -0.976 . . . . 0.0 110.33 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 mt -85.67 17.53 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.444 -0.785 . . . . 0.0 110.378 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -75.88 -8.4 56.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.0 110.843 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -121.79 12.54 10.59 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.187 -0.946 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.38 32.35 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 110.395 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 HG21 HD13 ' A' ' 8' ' ' ILE . 4.1 mm -44.52 111.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.165 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -70.9 93.37 0.62 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 O-C-N 124.038 1.546 . . . . 0.0 110.415 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG2' HG22 ' A' ' 8' ' ' ILE . 5.6 mttt -76.24 2.88 12.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.644 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.14 -42.72 86.51 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.378 -0.826 . . . . 0.0 109.776 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.42 -38.72 92.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.44 -0.788 . . . . 0.0 109.455 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -16.98 53.06 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.4 -0.813 . . . . 0.0 109.433 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -73.52 -14.94 61.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.67 179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.67 63.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.566 -0.709 . . . . 0.0 109.659 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -25.5 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 0.0 110.308 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -56.57 20.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 110.064 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -103.82 4.11 34.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -128.79 2.38 5.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -0.35 22.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.92 . . . . 0.0 110.213 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -78.31 -3.36 42.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 110.162 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 17.8 t80 -77.14 -4.47 44.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 110.14 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 1.73 46.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.478 -0.764 . . . . 0.0 111.019 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -125.16 -31.85 3.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.897 -1.127 . . . . 0.0 110.789 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.521 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -48.83 -55.72 18.73 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 54.1 Cg_endo -77.56 15.91 1.16 Allowed 'Trans proline' 0 C--N 1.309 -1.529 0 O-C-N 123.686 1.361 . . . . 0.0 111.155 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 5.8 tptm -84.35 33.68 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.853 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -74.09 -24.48 59.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.002 . . . . 0.0 109.932 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -67.44 -12.65 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -74.93 -26.32 59.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -2.66 29.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.59 64.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.933 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -28.5 69.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 110.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -7.3 59.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 0.0 110.199 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -128.19 45.17 2.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.16 0.505 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.462 ' CE2' ' HG2' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -137.22 -26.58 1.0 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.038 -1.039 . . . . 0.0 110.747 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -10.02 3.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.936 -1.102 . . . . 0.0 111.348 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.2 -9.73 25.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.039 -1.038 . . . . 0.0 109.88 179.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 43.8 t80 -78.09 -3.35 41.86 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.33 6.58 48.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 110.843 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -106.54 9.19 31.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG22 ' HD2' ' A' ' 9' ' ' PRO . 1.1 mp -63.29 150.26 89.66 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.487 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' HG22 ' A' ' 8' ' ' ILE . 45.0 Cg_endo -73.21 84.87 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.061 1.558 . . . . 0.0 111.275 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.58 20.99 4.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -0.962 . . . . 0.0 109.278 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -68.36 -50.63 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.635 -0.666 . . . . 0.0 110.201 -179.578 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -77.4 1.2 19.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.172 -0.955 . . . . 0.0 110.255 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.503 ' N ' HD11 ' A' ' 12' ' ' LEU . 3.3 t-80 -84.05 -20.82 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 109.761 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -14.13 59.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 109.776 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -14.34 62.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.493 -0.755 . . . . 0.0 109.578 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -33.19 12.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.426 -0.796 . . . . 0.0 110.044 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -61.07 -25.39 66.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.225 -0.922 . . . . 0.0 110.124 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -117.76 -36.71 3.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 0.0 110.288 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.453 ' HB3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.154 0.502 . . . . 0.0 110.162 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.8 p-90 -129.09 -15.84 4.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 7.3 mtpt -74.79 -14.24 60.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.261 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.453 HD12 ' HB3' ' A' ' 1' ' ' LYS . 2.8 mt -85.45 0.56 51.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.408 -0.808 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.513 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.416 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -6.13 58.01 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.615 -0.678 . . . . 0.0 110.257 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -149.82 42.78 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 0.0 110.362 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.587 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 28.6 mt -64.52 -44.79 75.93 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 121.523 -0.735 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 44.9 Cg_endo -72.15 54.19 2.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.21 1.111 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 tttt -91.73 23.95 3.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.065 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -33.83 73.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.582 -0.699 . . . . 0.0 110.355 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.548 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.4 OUTLIER -72.37 -0.14 11.64 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.271 -0.893 . . . . 0.0 110.786 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.558 ' CD2' ' O ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -76.85 -30.56 56.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 110.366 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.509 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -68.56 -13.48 62.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.217 -0.927 . . . . 0.0 110.425 -179.728 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.76 66.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.378 -0.826 . . . . 0.0 109.993 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -46.21 83.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 110.271 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 14' ' ' SER . 9.0 ptpt -85.5 7.7 21.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.73 24.74 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.569 ' CB ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -140.83 -117.08 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 111.086 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 19.4 mtmt -44.22 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.899 -1.126 . . . . 0.0 112.0 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -44.53 -19.77 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.158 -0.964 . . . . 0.0 112.204 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' CD1' ' CB ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -79.85 -14.3 58.76 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.948 -1.095 . . . . 0.0 109.464 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 10.1 ttpt -77.76 -14.94 59.44 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.292 0.568 . . . . 0.0 109.932 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -45.18 -23.04 0.14 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.136 . . . . 0.0 110.324 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 9' ' ' PRO . 4.1 tp -43.48 140.03 2.42 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.114 -0.991 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' HG13 ' A' ' 8' ' ' ILE . 38.7 Cg_endo -65.1 89.34 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.018 1.536 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 8.29 12.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.409 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -39.71 95.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.47 -22.43 61.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 110.552 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -28.89 61.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.976 -1.077 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -7.07 24.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.184 -0.947 . . . . 0.0 110.167 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.98 67.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 110.002 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -43.96 36.9 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.208 -0.932 . . . . 0.0 109.96 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -60.93 -39.96 91.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.357 -0.839 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.87 19.07 8.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.209 -0.932 . . . . 0.0 110.398 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -138.48 8.62 2.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 110.774 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -70.42 -18.7 63.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.072 . . . . 0.0 109.448 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.75 -9.25 57.42 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.439 0.638 . . . . 0.0 109.983 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -61.73 -23.84 66.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -62.07 -17.72 58.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -88.3 -13.7 40.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.637 -0.664 . . . . 0.0 109.598 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -44.7 141.48 2.88 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.514 -0.741 . . . . 0.0 110.109 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' A' ' 8' ' ' ILE . 48.3 Cg_endo -72.77 73.33 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 124.171 1.616 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -80.16 -9.22 59.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.052 -1.03 . . . . 0.0 109.706 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -66.94 -30.5 70.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 110.425 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.18 -34.34 66.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 110.605 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -27.9 66.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.136 -0.978 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 p -77.38 -10.94 59.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.052 -1.03 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.92 -23.16 63.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.49 -0.756 . . . . 0.0 109.838 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.63 -21.4 10.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.444 -0.785 . . . . 0.0 110.017 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.96 -23.07 0.69 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.108 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.59 39.37 0.47 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.379 -0.826 . . . . 0.0 110.297 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.5 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -126.93 121.53 32.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.167 -0.958 . . . . 0.0 110.047 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -16.11 21.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.76 -27.65 40.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.529 -0.732 . . . . 0.0 110.353 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -17.91 3.9 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.408 0.623 . . . . 0.0 110.767 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -126.51 34.56 4.79 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.337 -0.852 . . . . 0.0 109.809 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.56 -29.12 0.97 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.2 -0.937 . . . . 0.0 111.213 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 4' ' ' LEU . 1.4 mp -60.82 -55.29 46.17 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.04 . . . . 0.0 111.387 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 42.8 Cg_endo -66.64 56.07 0.46 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.532 1.28 . . . . 0.0 111.039 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 18.9 20.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -60.23 -34.04 73.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.197 -0.939 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.16 68.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.007 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 22.0 t-80 -69.83 -29.62 66.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -61.47 -52.24 65.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.943 . . . . 0.0 110.578 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . -64.27 -23.07 67.17 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.613 -0.679 . . . . 0.0 110.588 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.41 -20.66 4.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.179 -0.95 . . . . 0.0 110.305 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -84.68 -45.34 12.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.245 -0.909 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -125.07 -38.96 2.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.19 -0.944 . . . . 0.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.112 0.482 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 74.1 t-105 -155.82 -95.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -76.96 -3.25 37.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.939 -1.101 . . . . 0.0 110.567 -179.498 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -86.19 0.68 53.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 111.261 -179.475 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -12.59 59.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.859 -1.151 . . . . 0.0 111.02 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -93.24 8.08 41.73 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -118.24 -13.37 9.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -52.19 -46.47 93.77 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.591 -0.693 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 46.9 Cg_endo -73.66 80.4 2.04 Favored 'Trans proline' 0 C--N 1.31 -1.447 0 O-C-N 123.299 1.157 . . . . 0.0 110.803 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 20.35 5.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.279 -0.888 . . . . 0.0 109.493 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -66.01 -33.05 74.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.553 -0.717 . . . . 0.0 110.547 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.75 65.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 0.0 110.399 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -27.3 64.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -60.32 -15.26 23.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 109.866 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.87 48.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.522 -0.736 . . . . 0.0 109.81 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -68.79 -11.6 60.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 110.287 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -20.56 3.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 56.2 t80 -73.96 -3.65 30.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 110.477 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.136 0.493 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -165.38 -122.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.15 -0.969 . . . . 0.0 110.443 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -45.84 -23.79 0.32 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 110.755 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB3' HD12 ' A' ' 8' ' ' ILE . 1.6 mt -45.6 -25.28 0.44 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 9' ' ' PRO . 81.3 t80 -71.43 -6.84 43.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.514 -0.741 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.17 15.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.126 -0.984 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 13.74 18.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.032 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 4' ' ' LEU . 9.0 mt -112.34 -67.97 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.312 -0.867 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 47.8 Cg_endo -71.27 46.2 0.7 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.16 1.084 . . . . 0.0 111.886 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.07 -14.44 58.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.857 -1.152 . . . . 0.0 108.507 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -47.2 67.04 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.744 -0.597 . . . . 0.0 109.926 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -21.53 0.64 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 110.394 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 40.0 t-80 -58.56 -30.17 66.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 110.724 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.88 -20.07 63.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.142 -0.974 . . . . 0.0 110.152 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -17.51 60.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.99 -24.49 16.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 110.257 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -71.16 -26.58 63.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -0.993 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -79.74 -40.33 29.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.228 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mttt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.3 0.571 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -84.04 27.58 0.65 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.261 -0.9 . . . . 0.0 111.183 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -25.42 53.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.922 -1.111 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.7 pp -85.98 -4.27 59.13 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.538 -0.726 . . . . 0.0 110.461 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -12.11 61.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 110.724 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -115.8 29.61 7.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.443 -0.785 . . . . 0.0 111.083 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -138.47 15.37 2.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.879 -1.138 . . . . 0.0 110.642 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mm -110.88 93.78 18.27 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 109.975 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 55.0 Cg_endo -80.89 27.76 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 O-C-N 124.12 1.589 . . . . 0.0 111.433 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -45.43 -33.02 2.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.679 -1.263 . . . . 0.0 109.741 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -68.1 -48.04 66.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.2 mt -68.61 -14.71 63.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.016 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -48.7 -34.95 12.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.77 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -69.66 -21.46 63.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -65.54 -16.92 64.16 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -61.37 -13.48 20.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -56.76 -28.02 60.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -78.45 -62.03 1.82 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.2 0.524 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -147.37 21.77 1.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.125 -0.985 . . . . 0.0 110.334 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -3.33 19.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.055 -1.028 . . . . 0.0 110.212 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.04 -5.7 23.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.397 -0.815 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.86 -9.5 45.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.417 -0.802 . . . . 0.0 109.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -29.83 70.91 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 8' ' ' ILE . 11.8 tttp -104.81 67.18 0.8 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 10' ' ' LYS . 35.1 mm -130.31 121.03 19.28 Favored Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.587 -0.696 . . . . 0.0 109.778 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.74 3.7 5.76 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.837 1.441 . . . . 0.0 110.96 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -86.31 18.79 3.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.226 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -61.06 -43.55 98.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.0 109.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 110.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -23.88 66.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.704 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 48.5 t -78.17 -8.23 58.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.865 . . . . 0.0 109.633 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.51 59.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.491 -0.756 . . . . 0.0 109.763 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -9.71 29.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.1 pttt -67.63 -7.49 27.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -72.7 -72.23 0.25 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.223 -0.923 . . . . 0.0 110.422 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.2 0.524 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 1' ' ' LYS . 21.6 p90 -111.41 -25.46 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -72.17 -4.54 29.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.229 -0.919 . . . . 0.0 110.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -72.96 -18.15 61.41 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.832 0.825 . . . . 0.0 109.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -62.5 -10.87 13.2 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.736 -0.603 . . . . 0.0 110.602 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.99 4.52 16.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 8' ' ' ILE . 8.3 mmtp -64.34 -58.15 7.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.9 . . . . 0.0 110.127 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 7' ' ' LYS . 1.4 mp -102.51 102.76 27.66 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.886 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' HD11 ' A' ' 12' ' ' LEU . 49.5 Cg_endo -77.04 9.22 2.83 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 124.022 1.538 . . . . 0.0 111.06 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.6 tptp -44.92 -24.59 0.23 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.924 -1.11 . . . . 0.0 109.765 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -64.73 -63.57 1.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.935 0.874 . . . . 0.0 108.915 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.77 ' C ' HD12 ' A' ' 12' ' ' LEU . 4.1 pp -70.78 -3.22 17.69 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.367 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.591 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -68.3 -33.77 74.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.096 -1.003 . . . . 0.0 109.979 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -76.59 -13.99 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' PHE . . . -78.53 -17.56 56.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.539 -0.726 . . . . 0.0 109.787 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -15.18 62.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.461 -0.774 . . . . 0.0 110.101 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 3.92 36.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 0.0 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.57 -12.86 61.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.921 . . . . 0.0 109.801 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.135 0.493 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 2.8 p90 -138.59 4.56 2.37 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.171 -0.955 . . . . 0.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -66.67 -7.5 21.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.98 . . . . 0.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.13 -1.21 54.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -80.2 -5.17 55.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.77 4.4 25.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.97 40.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.098 -1.001 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.512 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 20.8 mm -93.21 126.72 49.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.963 . . . . 0.0 109.887 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -76.39 96.25 1.07 Allowed 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.86 1.453 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' CE ' ' HB ' ' A' ' 8' ' ' ILE . 1.4 mttm -96.88 10.21 39.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.266 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.4 t80 -66.05 -40.95 91.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 110.35 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -16.64 64.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.222 -0.924 . . . . 0.0 110.129 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -78.4 -22.91 47.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 109.982 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -7.11 29.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.039 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.3 -11.03 59.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 109.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -70.51 -7.91 47.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.469 -0.769 . . . . 0.0 110.33 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -58.71 -26.66 64.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.301 -0.874 . . . . 0.0 110.12 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.0 t80 -112.31 39.61 2.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.229 0.537 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.511 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -165.33 62.32 0.12 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.481 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -71.46 -6.43 40.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.894 . . . . 0.0 110.402 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.1 mt -85.85 -2.1 57.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.281 -0.887 . . . . 0.0 110.646 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -70.34 -5.55 28.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.353 -0.842 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -89.78 -16.41 30.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.391 -0.818 . . . . 0.0 111.049 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 8' ' ' ILE . 8.6 pttt -142.97 6.78 1.59 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.934 -1.104 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.511 HG12 ' HG3' ' A' ' 7' ' ' LYS . 28.2 mm -130.78 97.9 20.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 49.6 Cg_endo -78.96 44.44 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.909 1.478 . . . . 0.0 110.657 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -50.68 -28.86 9.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.076 -1.015 . . . . 0.0 109.839 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.79 -28.68 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.986 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 1.1 mp -63.64 -41.9 98.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.837 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.54 -32.44 28.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 0.0 109.858 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -71.03 -23.41 62.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 109.549 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -72.5 -5.94 40.39 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.623 -0.673 . . . . 0.0 109.828 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -55.72 -25.51 40.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.841 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -53.28 -26.47 18.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.887 . . . . 0.0 109.828 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -54.31 -40.5 68.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.0 110.218 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.268 0.556 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.67 130.01 41.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 110.176 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -2.64 26.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.303 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.77 HD12 ' CD1' ' A' ' 2' ' ' TRP . 9.3 mt -85.31 5.88 28.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.877 . . . . 0.0 110.203 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -10.99 60.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.176 -0.952 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -99.85 25.89 6.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -88.73 -65.63 1.0 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 110.463 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.552 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -66.04 -56.55 16.48 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.27 -0.894 . . . . 0.0 110.214 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 44.1 Cg_endo -70.41 58.83 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.604 1.318 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -27.23 52.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.361 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.6 t80 -69.12 -40.51 78.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 1.1 mp -41.75 -30.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 0.0 110.473 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -47.26 -34.27 6.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 110.217 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t -75.72 -0.7 21.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.93 . . . . 0.0 110.222 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.5 -18.78 62.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 0.0 109.922 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -30.91 6.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.378 -0.826 . . . . 0.0 110.172 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -24.24 14.53 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.205 -0.934 . . . . 0.0 110.247 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -79.02 -38.29 36.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 tttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.34 0.59 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -161.17 -70.64 0.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -10.29 59.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.87 12.46 9.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 37.2 t80 -67.19 -7.35 23.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -101.83 26.63 7.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 109.706 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 14.9 ttpt -109.21 -0.43 19.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.451 -0.781 . . . . 0.0 110.071 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.573 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 4.6 mt -49.1 -56.6 14.82 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.31 -0.869 . . . . 0.0 110.749 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 44.3 Cg_endo -69.21 96.14 0.53 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 O-C-N 123.689 1.362 . . . . 0.0 111.61 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -74.91 -3.56 32.84 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.249 -0.907 . . . . 0.0 109.226 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.85 -36.61 70.23 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.519 -0.738 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.2 mm? -70.02 -40.25 75.33 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.25 -0.906 . . . . 0.0 109.997 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -28.45 24.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -17.52 59.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 109.965 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.69 54.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.54 -0.725 . . . . 0.0 109.974 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -18.99 61.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.363 -0.836 . . . . 0.0 110.195 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -51.6 -33.12 31.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 110.327 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -53.81 -51.48 63.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.303 0.573 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.503 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -115.26 -158.73 0.68 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.14 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.87 -3.16 14.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.947 . . . . 0.0 110.232 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -55.86 -18.65 9.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 0.0 110.255 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -80.29 -22.68 41.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.477 -0.765 . . . . 0.0 109.957 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -92.94 2.22 56.9 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.545 0.688 . . . . 0.0 109.482 179.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 1.8 ptpm? -139.61 36.55 2.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.545 -0.722 . . . . 0.0 109.814 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 54.7 mt -44.54 -48.18 26.82 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.644 -0.66 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 40.5 Cg_endo -68.28 83.64 0.47 Allowed 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.327 1.172 . . . . 0.0 110.646 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -21.92 0.73 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 0.0 109.657 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -47.73 -32.52 5.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.367 -0.833 . . . . 0.0 109.253 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -18.98 5.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.407 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 14.2 t60 -45.3 -37.12 4.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.422 -0.799 . . . . 0.0 109.779 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -58.26 -16.14 12.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -7.0 37.56 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.627 -0.671 . . . . 0.0 110.08 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -56.48 -27.48 57.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.858 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -5.34 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.87 -55.1 9.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 110.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.27 0.557 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -110.89 141.91 43.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -76.51 -10.41 59.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 2' ' ' TRP . 4.0 mt -84.81 1.67 45.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.469 -0.769 . . . . 0.0 110.139 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -9.03 47.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -72.05 -1.99 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.392 -0.818 . . . . 0.0 110.825 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.24 -67.24 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 110.743 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 8' ' ' ILE . 38.1 mm -44.46 103.88 0.36 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 110.414 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.1 Cg_endo -76.65 67.6 7.23 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 O-C-N 124.107 1.583 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -1.0 53.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 109.984 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -32.57 74.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.591 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.77 -38.64 72.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.846 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -73.4 -20.37 60.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -9.35 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.281 -0.887 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -19.18 64.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.398 -0.814 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -67.48 -8.3 32.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.38 -0.825 . . . . 0.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -28.04 8.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.029 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -70.5 0.16 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.013 -1.055 . . . . 0.0 110.336 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.791 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.382 0.611 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -158.21 -138.36 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.459 -0.776 . . . . 0.0 109.313 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -22.15 0.88 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.858 -1.151 . . . . 0.0 110.122 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 4' ' ' LEU . 2.4 mp -69.76 -3.9 17.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.533 -0.729 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -22.48 1.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.73 11.3 34.11 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.586 -0.696 . . . . 0.0 111.518 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 16.6 tttp -109.8 -23.96 11.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.691 -1.256 . . . . 0.0 110.464 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.573 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 72.7 mt -65.63 -54.33 30.7 Favored Pre-proline 0 C--N 1.302 -1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 41.7 Cg_endo -66.26 -4.43 10.52 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 123.375 1.198 . . . . 0.0 111.859 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 7.9 mmtt -55.45 -19.33 9.09 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.77 -1.207 . . . . 0.0 109.954 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -67.5 -46.44 72.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.261 -0.9 . . . . 0.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -44.7 -30.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.158 -0.964 . . . . 0.0 110.124 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 t-80 -71.14 -39.44 71.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.203 -0.936 . . . . 0.0 109.802 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -23.67 60.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 0.0 110.09 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.02 -5.79 50.15 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.518 -0.739 . . . . 0.0 110.112 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.53 -22.36 63.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.097 -1.002 . . . . 0.0 109.993 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -13.73 26.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 0.0 110.075 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.95 -22.51 17.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.213 -0.929 . . . . 0.0 110.182 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.814 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.409 0.623 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -135.03 -72.86 0.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.396 -0.815 . . . . 0.0 109.598 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -78.63 -2.22 37.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.957 -1.089 . . . . 0.0 109.804 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.42 -3.23 32.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.389 -0.82 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -13.9 10.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 110.194 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -8.47 45.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -91.05 -39.42 12.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.332 -0.855 . . . . 0.0 110.227 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.9 mm -117.35 87.46 24.68 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -81.71 61.88 8.08 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 124.058 1.557 . . . . 0.0 110.999 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -45.65 -28.71 1.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.059 -1.026 . . . . 0.0 109.312 179.487 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.52 -53.62 18.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.5 tp -70.15 -5.39 26.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 10.2 t-80 -63.09 -36.06 82.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -16.56 62.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.262 -0.899 . . . . 0.0 109.656 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.97 -19.65 61.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.668 -0.645 . . . . 0.0 109.806 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -32.18 63.29 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.308 -0.87 . . . . 0.0 109.354 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.76 -12.05 60.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.554 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 13.8 t80 -81.39 7.0 12.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tptm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.197 0.523 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -162.82 71.45 0.29 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.438 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -9.74 30.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.138 -0.976 . . . . 0.0 110.33 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 mt -85.67 17.53 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.444 -0.785 . . . . 0.0 110.378 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -75.88 -8.4 56.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.0 110.843 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -121.79 12.54 10.59 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.187 -0.946 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.38 32.35 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 110.395 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 HG22 ' HG2' ' A' ' 10' ' ' LYS . 4.1 mm -44.52 111.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.165 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 44.5 Cg_endo -70.9 93.37 0.62 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 O-C-N 124.038 1.546 . . . . 0.0 110.415 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 8' ' ' ILE . 5.6 mttt -76.24 2.88 12.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.644 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.14 -42.72 86.51 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.378 -0.826 . . . . 0.0 109.776 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.42 -38.72 92.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.44 -0.788 . . . . 0.0 109.455 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -16.98 53.06 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.4 -0.813 . . . . 0.0 109.433 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -73.52 -14.94 61.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.67 179.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.67 63.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.566 -0.709 . . . . 0.0 109.659 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -25.5 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 0.0 110.308 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -56.57 20.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 110.064 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -103.82 4.11 34.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -128.79 2.38 5.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -0.35 22.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.92 . . . . 0.0 110.213 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -78.31 -3.36 42.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 110.162 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 17.8 t80 -77.14 -4.47 44.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 110.14 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 1.73 46.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.478 -0.764 . . . . 0.0 111.019 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -125.16 -31.85 3.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.897 -1.127 . . . . 0.0 110.789 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.571 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -48.83 -55.72 18.73 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 54.1 Cg_endo -77.56 15.91 1.16 Allowed 'Trans proline' 0 C--N 1.309 -1.529 0 O-C-N 123.686 1.361 . . . . 0.0 111.155 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 5.8 tptm -84.35 33.68 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.853 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -74.09 -24.48 59.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.002 . . . . 0.0 109.932 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 12' ' ' LEU . 7.4 tp -67.44 -12.65 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -74.93 -26.32 59.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -2.66 29.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.59 64.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.933 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -28.5 69.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 110.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -7.3 59.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 0.0 110.199 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -128.19 45.17 2.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.477 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.16 0.505 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CE2' ' HG2' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -137.22 -26.58 1.0 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.038 -1.039 . . . . 0.0 110.747 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -10.02 3.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.936 -1.102 . . . . 0.0 111.348 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.2 -9.73 25.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.039 -1.038 . . . . 0.0 109.88 179.499 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 43.8 t80 -78.09 -3.35 41.86 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.33 6.58 48.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 110.843 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -106.54 9.19 31.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -63.29 150.26 89.66 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.487 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.21 84.87 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.061 1.558 . . . . 0.0 111.275 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.58 20.99 4.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -0.962 . . . . 0.0 109.278 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -68.36 -50.63 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.635 -0.666 . . . . 0.0 110.201 -179.578 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -77.4 1.2 19.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.172 -0.955 . . . . 0.0 110.255 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.69 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.3 t-80 -84.05 -20.82 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 109.761 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -14.13 59.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 109.776 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . -68.44 -14.34 62.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.493 -0.755 . . . . 0.0 109.578 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -33.19 12.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.426 -0.796 . . . . 0.0 110.044 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' PHE . 1.9 pttt -61.07 -25.39 66.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.225 -0.922 . . . . 0.0 110.124 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 6.2 t80 -117.76 -36.71 3.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 0.0 110.288 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.154 0.502 . . . . 0.0 110.162 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.8 p-90 -129.09 -15.84 4.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.79 -14.24 60.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.261 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 1' ' ' LYS . 2.8 mt -85.45 0.56 51.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.408 -0.808 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.675 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.416 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -6.13 58.01 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.615 -0.678 . . . . 0.0 110.257 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -149.82 42.78 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 0.0 110.362 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 5' ' ' PHE . 28.6 mt -64.52 -44.79 75.93 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 121.523 -0.735 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 44.9 Cg_endo -72.15 54.19 2.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.21 1.111 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -91.73 23.95 3.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.065 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -33.83 73.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.582 -0.699 . . . . 0.0 110.355 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -72.37 -0.14 11.64 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.271 -0.893 . . . . 0.0 110.786 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.812 ' N ' HD12 ' A' ' 12' ' ' LEU . 4.5 p-80 -76.85 -30.56 56.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 110.366 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.457 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -68.56 -13.48 62.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.217 -0.927 . . . . 0.0 110.425 -179.728 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.76 66.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.378 -0.826 . . . . 0.0 109.993 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -46.21 83.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 110.271 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 14' ' ' SER . 9.0 ptpt -85.5 7.7 21.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.73 24.74 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.569 ' CB ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -140.83 -117.08 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 111.086 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 19.4 mtmt -44.22 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.899 -1.126 . . . . 0.0 112.0 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -44.53 -19.77 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.158 -0.964 . . . . 0.0 112.204 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' CD1' ' CB ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -79.85 -14.3 58.76 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.948 -1.095 . . . . 0.0 109.464 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 10.1 ttpt -77.76 -14.94 59.44 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.292 0.568 . . . . 0.0 109.932 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -45.18 -23.04 0.14 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.136 . . . . 0.0 110.324 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.463 HG13 ' HD2' ' A' ' 9' ' ' PRO . 4.1 tp -43.48 140.03 2.42 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.114 -0.991 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 8' ' ' ILE . 38.7 Cg_endo -65.1 89.34 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.018 1.536 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 8.29 12.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.409 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -39.71 95.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.618 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.5 mp -59.47 -22.43 61.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 110.552 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -28.89 61.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.976 -1.077 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -7.07 24.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.184 -0.947 . . . . 0.0 110.167 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.98 67.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 110.002 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -43.96 36.9 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.208 -0.932 . . . . 0.0 109.96 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -60.93 -39.96 91.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.357 -0.839 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.87 19.07 8.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.209 -0.932 . . . . 0.0 110.398 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -138.48 8.62 2.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 110.774 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -70.42 -18.7 63.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.072 . . . . 0.0 109.448 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.75 -9.25 57.42 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.439 0.638 . . . . 0.0 109.983 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -61.73 -23.84 66.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -62.07 -17.72 58.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -88.3 -13.7 40.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.637 -0.664 . . . . 0.0 109.598 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -44.7 141.48 2.88 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.514 -0.741 . . . . 0.0 110.109 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.672 ' N ' HD13 ' A' ' 8' ' ' ILE . 48.3 Cg_endo -72.77 73.33 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 124.171 1.616 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -80.16 -9.22 59.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.052 -1.03 . . . . 0.0 109.706 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -66.94 -30.5 70.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 110.425 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.18 -34.34 66.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 110.605 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -27.9 66.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.136 -0.978 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 p -77.38 -10.94 59.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.052 -1.03 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.92 -23.16 63.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.49 -0.756 . . . . 0.0 109.838 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.63 -21.4 10.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.444 -0.785 . . . . 0.0 110.017 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.96 -23.07 0.69 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.108 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.59 39.37 0.47 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.379 -0.826 . . . . 0.0 110.297 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.5 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.232 0.539 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -126.93 121.53 32.0 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.167 -0.958 . . . . 0.0 110.047 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -16.11 21.99 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.072 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.76 -27.65 40.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.529 -0.732 . . . . 0.0 110.353 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.63 -17.91 3.9 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.408 0.623 . . . . 0.0 110.767 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -126.51 34.56 4.79 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 121.337 -0.852 . . . . 0.0 109.809 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.56 -29.12 0.97 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.2 -0.937 . . . . 0.0 111.213 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.847 HD12 ' O ' ' A' ' 4' ' ' LEU . 1.4 mp -60.82 -55.29 46.17 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.037 -1.04 . . . . 0.0 111.387 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 42.8 Cg_endo -66.64 56.07 0.46 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 O-C-N 123.532 1.28 . . . . 0.0 111.039 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.17 18.9 20.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.292 -0.88 . . . . 0.0 109.755 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -60.23 -34.04 73.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.197 -0.939 . . . . 0.0 109.551 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.66 -27.16 68.74 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.356 -0.84 . . . . 0.0 110.007 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.496 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 22.0 t-80 -69.83 -29.62 66.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.196 -0.94 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -61.47 -52.24 65.33 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.943 . . . . 0.0 110.578 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . -64.27 -23.07 67.17 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.613 -0.679 . . . . 0.0 110.588 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.41 -20.66 4.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.179 -0.95 . . . . 0.0 110.305 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -84.68 -45.34 12.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.245 -0.909 . . . . 0.0 110.283 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -125.07 -38.96 2.28 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.19 -0.944 . . . . 0.0 110.248 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.897 -1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 121.112 0.482 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.448 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 74.1 t-105 -155.82 -95.08 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.026 -1.046 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -76.96 -3.25 37.88 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.939 -1.101 . . . . 0.0 110.567 -179.498 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -86.19 0.68 53.1 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.322 -0.861 . . . . 0.0 111.261 -179.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.8 -12.59 59.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.859 -1.151 . . . . 0.0 111.02 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -93.24 8.08 41.73 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.149 -0.969 . . . . 0.0 110.138 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -118.24 -13.37 9.88 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.542 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.578 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -52.19 -46.47 93.77 Favored Pre-proline 0 N--CA 1.492 1.657 0 O-C-N 121.591 -0.693 . . . . 0.0 111.234 -179.599 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 46.9 Cg_endo -73.66 80.4 2.04 Favored 'Trans proline' 0 C--N 1.31 -1.447 0 O-C-N 123.299 1.157 . . . . 0.0 110.803 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.84 20.35 5.73 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.279 -0.888 . . . . 0.0 109.493 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -66.01 -33.05 74.92 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.553 -0.717 . . . . 0.0 110.547 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.75 65.61 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.234 -0.916 . . . . 0.0 110.399 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -27.3 64.52 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.289 -0.882 . . . . 0.0 110.283 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.0 t -60.32 -15.26 23.74 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 109.866 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.95 -22.87 48.85 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.522 -0.736 . . . . 0.0 109.81 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -68.79 -11.6 60.56 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 110.287 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.64 -20.56 3.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 110.233 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 56.2 t80 -73.96 -3.65 30.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.273 -0.892 . . . . 0.0 110.477 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.832 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.136 0.493 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -165.38 -122.16 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.15 -0.969 . . . . 0.0 110.443 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -45.84 -23.79 0.32 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.897 -1.127 . . . . 0.0 110.755 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB3' HD12 ' A' ' 8' ' ' ILE . 1.6 mt -45.6 -25.28 0.44 Allowed 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.476 -0.765 . . . . 0.0 110.718 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.541 ' CD1' ' HG3' ' A' ' 9' ' ' PRO . 81.3 t80 -71.43 -6.84 43.31 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.514 -0.741 . . . . 0.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.38 -26.17 15.99 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.126 -0.984 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 13.74 18.75 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.032 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 4' ' ' LEU . 9.0 mt -112.34 -67.97 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.671 0 O-C-N 121.312 -0.867 . . . . 0.0 111.03 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.585 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 47.8 Cg_endo -71.27 46.2 0.7 Allowed 'Trans proline' 0 C--N 1.313 -1.305 0 O-C-N 123.16 1.084 . . . . 0.0 111.886 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.07 -14.44 58.52 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.857 -1.152 . . . . 0.0 108.507 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.69 -47.2 67.04 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.744 -0.597 . . . . 0.0 109.926 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.76 -21.53 0.64 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 110.394 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 40.0 t-80 -58.56 -30.17 66.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.312 -0.867 . . . . 0.0 110.724 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -69.88 -20.07 63.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.142 -0.974 . . . . 0.0 110.152 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -17.51 60.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.525 -0.734 . . . . 0.0 110.076 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -53.99 -24.49 16.96 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.316 -0.865 . . . . 0.0 110.257 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -71.16 -26.58 63.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.111 -0.993 . . . . 0.0 110.135 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -79.74 -40.33 29.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.228 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mttt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.3 0.571 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -84.04 27.58 0.65 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.261 -0.9 . . . . 0.0 111.183 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -25.42 53.82 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.922 -1.111 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.7 pp -85.98 -4.27 59.13 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.538 -0.726 . . . . 0.0 110.461 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -12.11 61.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.378 -0.826 . . . . 0.0 110.724 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -115.8 29.61 7.88 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.443 -0.785 . . . . 0.0 111.083 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -138.47 15.37 2.76 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.879 -1.138 . . . . 0.0 110.642 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mm -110.88 93.78 18.27 Favored Pre-proline 0 N--CA 1.493 1.69 0 O-C-N 121.341 -0.849 . . . . 0.0 109.975 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 55.0 Cg_endo -80.89 27.76 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 O-C-N 124.12 1.589 . . . . 0.0 111.433 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -45.43 -33.02 2.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.679 -1.263 . . . . 0.0 109.741 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -68.1 -48.04 66.55 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.388 -0.82 . . . . 0.0 109.992 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.2 mt -68.61 -14.71 63.19 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.295 -0.878 . . . . 0.0 110.016 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -48.7 -34.95 12.91 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.77 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -69.66 -21.46 63.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -65.54 -16.92 64.16 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.516 -0.74 . . . . 0.0 109.634 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -61.37 -13.48 20.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.478 -0.764 . . . . 0.0 110.159 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -56.76 -28.02 60.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.284 -0.885 . . . . 0.0 110.171 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -78.45 -62.03 1.82 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.247 -0.908 . . . . 0.0 110.145 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.75 -1.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.2 0.524 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.441 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -147.37 21.77 1.19 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.125 -0.985 . . . . 0.0 110.334 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -3.33 19.35 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.055 -1.028 . . . . 0.0 110.212 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mt -69.04 -5.7 23.5 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.397 -0.815 . . . . 0.0 110.316 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.86 -9.5 45.26 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.417 -0.802 . . . . 0.0 109.769 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.64 -29.83 70.91 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 8' ' ' ILE . 11.8 tttp -104.81 67.18 0.8 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 10' ' ' LYS . 35.1 mm -130.31 121.03 19.28 Favored Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.587 -0.696 . . . . 0.0 109.778 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -75.74 3.7 5.76 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 O-C-N 123.837 1.441 . . . . 0.0 110.96 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -86.31 18.79 3.01 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.024 -1.048 . . . . 0.0 110.226 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -61.06 -43.55 98.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.221 -0.924 . . . . 0.0 109.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -26.67 60.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.277 -0.889 . . . . 0.0 110.074 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -23.88 66.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.247 -0.908 . . . . 0.0 109.704 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 48.5 t -78.17 -8.23 58.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.315 -0.865 . . . . 0.0 109.633 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.3 -10.51 59.46 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.491 -0.756 . . . . 0.0 109.763 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.64 -9.71 29.62 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.407 -0.808 . . . . 0.0 110.131 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 14' ' ' SER . 7.1 pttt -67.63 -7.49 27.04 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.268 -0.895 . . . . 0.0 110.046 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -72.7 -72.23 0.25 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.223 -0.923 . . . . 0.0 110.422 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.2 0.524 . . . . 0.0 110.157 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 1' ' ' LYS . 21.6 p90 -111.41 -25.46 9.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.294 -0.879 . . . . 0.0 110.196 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -72.17 -4.54 29.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.229 -0.919 . . . . 0.0 110.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.6 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -72.96 -18.15 61.41 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.832 0.825 . . . . 0.0 109.882 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -62.5 -10.87 13.2 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.736 -0.603 . . . . 0.0 110.602 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.99 4.52 16.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.303 -0.873 . . . . 0.0 110.25 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.61 ' C ' HD12 ' A' ' 8' ' ' ILE . 8.3 mmtp -64.34 -58.15 7.32 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.261 -0.9 . . . . 0.0 110.127 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.61 HD12 ' C ' ' A' ' 7' ' ' LYS . 1.4 mp -102.51 102.76 27.66 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.886 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HB2' HD11 ' A' ' 12' ' ' LEU . 49.5 Cg_endo -77.04 9.22 2.83 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 O-C-N 124.022 1.538 . . . . 0.0 111.06 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.6 tptp -44.92 -24.59 0.23 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.924 -1.11 . . . . 0.0 109.765 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.613 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -64.73 -63.57 1.09 Allowed 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 121.935 0.874 . . . . 0.0 108.915 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.77 ' C ' HD12 ' A' ' 12' ' ' LEU . 4.1 pp -70.78 -3.22 17.69 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.367 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.591 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -68.3 -33.77 74.93 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.096 -1.003 . . . . 0.0 109.979 179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -76.59 -13.99 60.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.288 -0.883 . . . . 0.0 109.918 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' PHE . . . -78.53 -17.56 56.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.539 -0.726 . . . . 0.0 109.787 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -15.18 62.67 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.461 -0.774 . . . . 0.0 110.101 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.12 3.92 36.7 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.2 -0.938 . . . . 0.0 110.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB3' ' O ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -69.57 -12.86 61.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.226 -0.921 . . . . 0.0 109.801 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.135 0.493 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 2.8 p90 -138.59 4.56 2.37 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.171 -0.955 . . . . 0.0 110.482 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -66.67 -7.5 21.11 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.133 -0.98 . . . . 0.0 110.545 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.13 -1.21 54.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -80.2 -5.17 55.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.235 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.77 4.4 25.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 110.211 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 -0.97 40.74 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.098 -1.001 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.512 ' HB ' ' CE ' ' A' ' 10' ' ' LYS . 20.8 mm -93.21 126.72 49.71 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.963 . . . . 0.0 109.887 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -76.39 96.25 1.07 Allowed 'Trans proline' 0 C--N 1.308 -1.56 0 O-C-N 123.86 1.453 . . . . 0.0 111.219 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' CE ' ' HB ' ' A' ' 8' ' ' ILE . 1.4 mttm -96.88 10.21 39.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.266 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 1.4 t80 -66.05 -40.95 91.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.528 -0.733 . . . . 0.0 110.35 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -16.64 64.43 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.222 -0.924 . . . . 0.0 110.129 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -78.4 -22.91 47.11 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.95 . . . . 0.0 109.982 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.51 -7.11 29.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.236 -0.915 . . . . 0.0 110.039 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.3 -11.03 59.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.388 -0.82 . . . . 0.0 109.95 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -70.51 -7.91 47.24 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.469 -0.769 . . . . 0.0 110.33 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -58.71 -26.66 64.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.301 -0.874 . . . . 0.0 110.12 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' PHE . 28.0 t80 -112.31 39.61 2.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.298 -0.876 . . . . 0.0 110.029 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.229 0.537 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.511 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -165.33 62.32 0.12 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.214 -0.929 . . . . 0.0 110.481 179.704 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -71.46 -6.43 40.37 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.269 -0.894 . . . . 0.0 110.402 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.1 mt -85.85 -2.1 57.92 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.281 -0.887 . . . . 0.0 110.646 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -70.34 -5.55 28.89 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.353 -0.842 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -89.78 -16.41 30.29 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.391 -0.818 . . . . 0.0 111.049 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HG3' HG12 ' A' ' 8' ' ' ILE . 8.6 pttt -142.97 6.78 1.59 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.934 -1.104 . . . . 0.0 110.905 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.511 HG12 ' HG3' ' A' ' 7' ' ' LYS . 28.2 mm -130.78 97.9 20.35 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.076 -1.015 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 49.6 Cg_endo -78.96 44.44 1.68 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.909 1.478 . . . . 0.0 110.657 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -50.68 -28.86 9.82 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.076 -1.015 . . . . 0.0 109.839 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -62.79 -28.68 70.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 109.986 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 1.1 mp -63.64 -41.9 98.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.36 -0.837 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.54 -32.44 28.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.174 -0.954 . . . . 0.0 109.858 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 t -71.03 -23.41 62.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 109.549 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -72.5 -5.94 40.39 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.623 -0.673 . . . . 0.0 109.828 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -55.72 -25.51 40.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.841 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -53.28 -26.47 18.44 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.282 -0.887 . . . . 0.0 109.828 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -54.31 -40.5 68.01 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.374 -0.829 . . . . 0.0 110.218 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.802 -1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.268 0.556 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.77 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -94.67 130.01 41.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.244 -0.91 . . . . 0.0 110.176 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -2.64 26.53 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.252 -0.905 . . . . 0.0 110.303 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.77 HD12 ' CD1' ' A' ' 2' ' ' TRP . 9.3 mt -85.31 5.88 28.68 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.298 -0.877 . . . . 0.0 110.203 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -10.99 60.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.176 -0.952 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -99.85 25.89 6.85 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.456 -0.777 . . . . 0.0 110.28 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -88.73 -65.63 1.0 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.205 -0.934 . . . . 0.0 110.463 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.552 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -66.04 -56.55 16.48 Favored Pre-proline 0 N--CA 1.492 1.636 0 O-C-N 121.27 -0.894 . . . . 0.0 110.214 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 44.1 Cg_endo -70.41 58.83 1.9 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.604 1.318 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.1 -27.23 52.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.222 -0.924 . . . . 0.0 109.361 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LEU . 6.6 t80 -69.12 -40.51 78.25 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.433 -0.792 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 9' ' ' PRO . 1.1 mp -41.75 -30.91 0.26 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.297 -0.877 . . . . 0.0 110.473 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -47.26 -34.27 6.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.203 -0.935 . . . . 0.0 110.217 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t -75.72 -0.7 21.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.93 . . . . 0.0 110.222 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.5 -18.78 62.96 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.223 -0.923 . . . . 0.0 109.922 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.91 -30.91 6.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.378 -0.826 . . . . 0.0 110.172 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -24.24 14.53 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.205 -0.934 . . . . 0.0 110.247 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -79.02 -38.29 36.95 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.206 -0.934 . . . . 0.0 110.211 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 tttt . . . . . 0 N--CA 1.494 1.769 0 CA-C-O 121.34 0.59 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -161.17 -70.64 0.06 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.189 -0.945 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -10.29 59.59 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.349 -0.844 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.87 12.46 9.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.328 -0.857 . . . . 0.0 110.21 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 37.2 t80 -67.19 -7.35 23.02 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.076 -1.015 . . . . 0.0 110.198 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -101.83 26.63 7.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.254 -0.904 . . . . 0.0 109.706 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 14.9 ttpt -109.21 -0.43 19.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.451 -0.781 . . . . 0.0 110.071 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.573 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 4.6 mt -49.1 -56.6 14.82 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.31 -0.869 . . . . 0.0 110.749 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 44.3 Cg_endo -69.21 96.14 0.53 Allowed 'Trans proline' 0 C--N 1.309 -1.526 0 O-C-N 123.689 1.362 . . . . 0.0 111.61 -179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -74.91 -3.56 32.84 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.249 -0.907 . . . . 0.0 109.226 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -56.85 -36.61 70.23 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.519 -0.738 . . . . 0.0 109.975 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 12' ' ' LEU . 2.2 mm? -70.02 -40.25 75.33 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.25 -0.906 . . . . 0.0 109.997 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -28.45 24.04 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.353 -0.842 . . . . 0.0 110.138 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -17.52 59.8 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.274 -0.891 . . . . 0.0 109.965 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.16 -17.69 54.21 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.54 -0.725 . . . . 0.0 109.974 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -18.99 61.38 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.363 -0.836 . . . . 0.0 110.195 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -51.6 -33.12 31.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.242 -0.911 . . . . 0.0 110.327 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -53.81 -51.48 63.39 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.178 -0.951 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.779 -1.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.303 0.573 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.503 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -115.26 -158.73 0.68 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.308 -0.87 . . . . 0.0 110.14 -179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -69.87 -3.16 14.6 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.947 . . . . 0.0 110.232 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.0 OUTLIER -55.86 -18.65 9.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.249 -0.907 . . . . 0.0 110.255 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -80.29 -22.68 41.34 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.477 -0.765 . . . . 0.0 109.957 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -92.94 2.22 56.9 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.545 0.688 . . . . 0.0 109.482 179.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 1.8 ptpm? -139.61 36.55 2.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.545 -0.722 . . . . 0.0 109.814 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 54.7 mt -44.54 -48.18 26.82 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.644 -0.66 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 40.5 Cg_endo -68.28 83.64 0.47 Allowed 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.327 1.172 . . . . 0.0 110.646 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 -21.92 0.73 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.331 -0.856 . . . . 0.0 109.657 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -47.73 -32.52 5.94 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.367 -0.833 . . . . 0.0 109.253 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.91 -18.98 5.64 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.407 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 14.2 t60 -45.3 -37.12 4.54 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.422 -0.799 . . . . 0.0 109.779 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -58.26 -16.14 12.84 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.155 -0.965 . . . . 0.0 109.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.05 -7.0 37.56 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.627 -0.671 . . . . 0.0 110.08 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' CG ' ' O ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -56.48 -27.48 57.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.858 179.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 -5.34 57.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.276 -0.89 . . . . 0.0 110.086 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.87 -55.1 9.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.181 -0.949 . . . . 0.0 110.19 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.85 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.27 0.557 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -110.89 141.91 43.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -76.51 -10.41 59.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.268 -0.895 . . . . 0.0 110.114 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 2' ' ' TRP . 4.0 mt -84.81 1.67 45.78 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.469 -0.769 . . . . 0.0 110.139 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.61 -9.03 47.22 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -72.05 -1.99 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.392 -0.818 . . . . 0.0 110.825 -179.305 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -58.24 -67.24 0.37 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.164 -0.96 . . . . 0.0 110.743 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 8' ' ' ILE . 38.1 mm -44.46 103.88 0.36 Allowed Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.215 -0.928 . . . . 0.0 110.414 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.1 Cg_endo -76.65 67.6 7.23 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 O-C-N 124.107 1.583 . . . . 0.0 110.803 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -1.0 53.3 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.147 -0.971 . . . . 0.0 109.984 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -32.57 74.08 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.291 -0.881 . . . . 0.0 110.591 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.77 -38.64 72.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.24 -0.912 . . . . 0.0 110.846 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' CD2' ' O ' ' A' ' 13' ' ' HIS . 11.7 t-160 -73.4 -20.37 60.76 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.17 -9.35 58.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.281 -0.887 . . . . 0.0 110.201 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.09 -19.18 64.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.398 -0.814 . . . . 0.0 109.763 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -67.48 -8.3 32.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.38 -0.825 . . . . 0.0 110.433 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -28.04 8.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.029 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.02 -70.5 0.16 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.013 -1.055 . . . . 0.0 110.336 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.791 -1.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.382 0.611 . . . . 0.0 110.131 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -158.21 -138.36 0.06 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.459 -0.776 . . . . 0.0 109.313 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.1 -22.15 0.88 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.858 -1.151 . . . . 0.0 110.122 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 4' ' ' LEU . 2.4 mp -69.76 -3.9 17.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.533 -0.729 . . . . 0.0 110.31 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -22.48 1.09 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.325 -0.859 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -104.73 11.3 34.11 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.586 -0.696 . . . . 0.0 111.518 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 16.6 tttp -109.8 -23.96 11.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.691 -1.256 . . . . 0.0 110.464 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.573 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 72.7 mt -65.63 -54.33 30.7 Favored Pre-proline 0 C--N 1.302 -1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 110.91 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 41.7 Cg_endo -66.26 -4.43 10.52 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 O-C-N 123.375 1.198 . . . . 0.0 111.859 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 7.9 mmtt -55.45 -19.33 9.09 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.77 -1.207 . . . . 0.0 109.954 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -67.5 -46.44 72.88 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.261 -0.9 . . . . 0.0 110.599 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mp -44.7 -30.45 0.94 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.158 -0.964 . . . . 0.0 110.124 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 1.7 t-80 -71.14 -39.44 71.98 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.203 -0.936 . . . . 0.0 109.802 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -23.67 60.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.27 -0.894 . . . . 0.0 110.09 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.02 -5.79 50.15 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.518 -0.739 . . . . 0.0 110.112 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -69.53 -22.36 63.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.097 -1.002 . . . . 0.0 109.993 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -13.73 26.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.298 -0.876 . . . . 0.0 110.075 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -94.95 -22.51 17.92 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.213 -0.929 . . . . 0.0 110.182 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.814 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.409 0.623 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -135.03 -72.86 0.47 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.396 -0.815 . . . . 0.0 109.598 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -78.63 -2.22 37.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.957 -1.089 . . . . 0.0 109.804 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.42 -3.23 32.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.389 -0.82 . . . . 0.0 110.047 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.51 -13.9 10.78 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.323 -0.861 . . . . 0.0 110.194 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -8.47 45.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -91.05 -39.42 12.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.332 -0.855 . . . . 0.0 110.227 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.9 mm -117.35 87.46 24.68 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -0.892 . . . . 0.0 110.27 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -81.71 61.88 8.08 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 124.058 1.557 . . . . 0.0 110.999 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' O ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -45.65 -28.71 1.05 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.059 -1.026 . . . . 0.0 109.312 179.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.52 -53.62 18.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 109.713 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 5.5 tp -70.15 -5.39 26.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.381 -0.824 . . . . 0.0 110.005 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 10.2 t-80 -63.09 -36.06 82.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.342 -0.849 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -16.56 62.29 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.262 -0.899 . . . . 0.0 109.656 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.97 -19.65 61.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.668 -0.645 . . . . 0.0 109.806 179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -32.18 63.29 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.308 -0.87 . . . . 0.0 109.354 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.76 -12.05 60.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.554 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 13.8 t80 -81.39 7.0 12.74 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.506 -0.746 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.837 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 tptm . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 121.197 0.523 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -162.82 71.45 0.29 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.178 -0.951 . . . . 0.0 110.438 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.69 -9.74 30.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.138 -0.976 . . . . 0.0 110.33 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 31.6 mt -85.67 17.53 3.27 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.444 -0.785 . . . . 0.0 110.378 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -75.88 -8.4 56.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.213 -0.929 . . . . 0.0 110.843 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -121.79 12.54 10.59 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.187 -0.946 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.38 32.35 0.52 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.097 -1.002 . . . . 0.0 110.395 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 HG22 ' HG2' ' A' ' 10' ' ' LYS . 4.1 mm -44.52 111.36 1.2 Allowed Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 110.165 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 44.5 Cg_endo -70.9 93.37 0.62 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 O-C-N 124.038 1.546 . . . . 0.0 110.415 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' HG2' HG22 ' A' ' 8' ' ' ILE . 5.6 mttt -76.24 2.88 12.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.644 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -58.14 -42.72 86.51 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.378 -0.826 . . . . 0.0 109.776 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.42 -38.72 92.24 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.44 -0.788 . . . . 0.0 109.455 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -16.98 53.06 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.4 -0.813 . . . . 0.0 109.433 179.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -73.52 -14.94 61.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.406 -0.809 . . . . 0.0 109.67 179.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.67 63.65 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.566 -0.709 . . . . 0.0 109.659 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.77 -25.5 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.412 -0.805 . . . . 0.0 110.308 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.5 -56.57 20.34 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.199 -0.938 . . . . 0.0 110.064 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -103.82 4.11 34.65 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.209 -0.932 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.326 0.584 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -128.79 2.38 5.41 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.264 -0.898 . . . . 0.0 110.213 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -0.35 22.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.229 -0.92 . . . . 0.0 110.213 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -78.31 -3.36 42.58 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.226 -0.921 . . . . 0.0 110.162 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' O ' ' CG ' ' A' ' 5' ' ' PHE . 17.8 t80 -77.14 -4.47 44.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 110.14 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.25 1.73 46.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.478 -0.764 . . . . 0.0 111.019 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -125.16 -31.85 3.04 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.897 -1.127 . . . . 0.0 110.789 -179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.571 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -48.83 -55.72 18.73 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.109 -0.994 . . . . 0.0 109.978 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.571 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 54.1 Cg_endo -77.56 15.91 1.16 Allowed 'Trans proline' 0 C--N 1.309 -1.529 0 O-C-N 123.686 1.361 . . . . 0.0 111.155 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 7' ' ' LYS . 5.8 tptm -84.35 33.68 0.51 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.902 -1.124 . . . . 0.0 110.853 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -74.09 -24.48 59.48 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.096 -1.002 . . . . 0.0 109.932 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HA ' HD12 ' A' ' 12' ' ' LEU . 7.4 tp -67.44 -12.65 60.79 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.295 -0.878 . . . . 0.0 110.036 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -74.93 -26.32 59.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.337 -0.852 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -2.66 29.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.59 64.77 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.291 -0.881 . . . . 0.0 109.933 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -28.5 69.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.387 -0.821 . . . . 0.0 110.113 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -7.3 59.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.272 -0.892 . . . . 0.0 110.199 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -128.19 45.17 2.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.288 -0.883 . . . . 0.0 110.267 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.477 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.16 0.505 . . . . 0.0 110.509 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' CE2' ' HG2' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -137.22 -26.58 1.0 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.038 -1.039 . . . . 0.0 110.747 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -10.02 3.63 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.936 -1.102 . . . . 0.0 111.348 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -65.2 -9.73 25.78 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.039 -1.038 . . . . 0.0 109.88 179.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 43.8 t80 -78.09 -3.35 41.86 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.325 -0.859 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.33 6.58 48.27 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 110.843 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -106.54 9.19 31.57 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.808 -1.182 . . . . 0.0 110.355 179.677 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 mp -63.29 150.26 89.66 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.261 -0.899 . . . . 0.0 109.487 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -73.21 84.87 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 124.061 1.558 . . . . 0.0 111.275 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.58 20.99 4.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.161 -0.962 . . . . 0.0 109.278 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -68.36 -50.63 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.635 -0.666 . . . . 0.0 110.201 -179.578 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.69 HD12 ' N ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -77.4 1.2 19.73 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.172 -0.955 . . . . 0.0 110.255 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.69 ' N ' HD12 ' A' ' 12' ' ' LEU . 3.3 t-80 -84.05 -20.82 32.05 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 109.761 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -14.13 59.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 109.776 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' NH2 . . . -68.44 -14.34 62.93 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.493 -0.755 . . . . 0.0 109.578 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.24 -33.19 12.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.426 -0.796 . . . . 0.0 110.044 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' PHE . 1.9 pttt -61.07 -25.39 66.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.225 -0.922 . . . . 0.0 110.124 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 6.2 t80 -117.76 -36.71 3.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.364 -0.835 . . . . 0.0 110.288 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.647 ' HB3' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.154 0.502 . . . . 0.0 110.162 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.8 p-90 -129.09 -15.84 4.15 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -74.79 -14.24 60.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.261 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 1' ' ' LYS . 2.8 mt -85.45 0.56 51.91 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.408 -0.808 . . . . 0.0 110.113 179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.675 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.394 -0.816 . . . . 0.0 110.416 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -6.13 58.01 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.615 -0.678 . . . . 0.0 110.257 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -149.82 42.78 0.88 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.166 -0.959 . . . . 0.0 110.362 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.675 HD11 ' HA ' ' A' ' 5' ' ' PHE . 28.6 mt -64.52 -44.79 75.93 Favored Pre-proline 0 C--N 1.297 -1.702 0 O-C-N 121.523 -0.735 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 8' ' ' ILE . 44.9 Cg_endo -72.15 54.19 2.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.21 1.111 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.558 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 1.6 tttt -91.73 23.95 3.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.254 -0.904 . . . . 0.0 109.065 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -33.83 73.35 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.582 -0.699 . . . . 0.0 110.355 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.812 HD12 ' N ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -72.37 -0.14 11.64 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.271 -0.893 . . . . 0.0 110.786 -179.678 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.812 ' N ' HD12 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -76.85 -30.56 56.35 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.166 -0.959 . . . . 0.0 110.366 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.509 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -68.56 -13.48 62.37 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.217 -0.927 . . . . 0.0 110.425 -179.728 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.76 -31.76 66.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.378 -0.826 . . . . 0.0 109.993 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -46.21 83.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.324 -0.86 . . . . 0.0 110.271 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 14' ' ' SER . 9.0 ptpt -85.5 7.7 21.92 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -129.73 24.74 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.203 -0.936 . . . . 0.0 110.277 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.569 ' CB ' ' CD1' ' A' ' 5' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.314 0.578 . . . . 0.0 110.238 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -140.83 -117.08 0.12 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 111.086 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 19.4 mtmt -44.22 -98.23 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.899 -1.126 . . . . 0.0 112.0 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pp -44.53 -19.77 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.158 -0.964 . . . . 0.0 112.204 -178.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.569 ' CD1' ' CB ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER -79.85 -14.3 58.76 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 120.948 -1.095 . . . . 0.0 109.464 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 10.1 ttpt -77.76 -14.94 59.44 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.292 0.568 . . . . 0.0 109.932 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -45.18 -23.04 0.14 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.136 . . . . 0.0 110.324 179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.463 HG13 ' HD2' ' A' ' 9' ' ' PRO . 4.1 tp -43.48 140.03 2.42 Favored Pre-proline 0 N--CA 1.492 1.667 0 O-C-N 121.114 -0.991 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD2' HG13 ' A' ' 8' ' ' ILE . 38.7 Cg_endo -65.1 89.34 0.19 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.018 1.536 . . . . 0.0 111.169 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.71 8.29 12.54 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.499 -0.75 . . . . 0.0 109.409 178.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -39.71 95.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.565 -0.709 . . . . 0.0 110.752 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.618 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.5 mp -59.47 -22.43 61.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.315 -0.866 . . . . 0.0 110.552 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -74.18 -28.89 61.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.976 -1.077 . . . . 0.0 110.279 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -7.07 24.35 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.184 -0.947 . . . . 0.0 110.167 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.98 67.39 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.401 -0.812 . . . . 0.0 110.002 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -43.96 36.9 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.208 -0.932 . . . . 0.0 109.96 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -60.93 -39.96 91.45 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.357 -0.839 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.87 19.07 8.07 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.209 -0.932 . . . . 0.0 110.398 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.479 ' O ' ' HB2' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -138.48 8.62 2.64 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.122 -0.986 . . . . 0.0 110.774 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -70.42 -18.7 63.02 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.984 -1.072 . . . . 0.0 109.448 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.75 -9.25 57.42 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.439 0.638 . . . . 0.0 109.983 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -61.73 -23.84 66.4 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.384 -0.823 . . . . 0.0 109.594 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -62.07 -17.72 58.42 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -88.3 -13.7 40.14 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.637 -0.664 . . . . 0.0 109.598 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.672 HD13 ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -44.7 141.48 2.88 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.514 -0.741 . . . . 0.0 110.109 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.672 ' N ' HD13 ' A' ' 8' ' ' ILE . 48.3 Cg_endo -72.77 73.33 2.99 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 124.171 1.616 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -80.16 -9.22 59.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.052 -1.03 . . . . 0.0 109.706 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -66.94 -30.5 70.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.46 -0.775 . . . . 0.0 110.425 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -56.18 -34.34 66.13 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.324 -0.86 . . . . 0.0 110.605 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.99 -27.9 66.97 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.136 -0.978 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 p -77.38 -10.94 59.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.052 -1.03 . . . . 0.0 109.758 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.92 -23.16 63.17 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.49 -0.756 . . . . 0.0 109.838 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -54.63 -21.4 10.42 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.444 -0.785 . . . . 0.0 110.017 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.96 -23.07 0.69 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.242 -0.911 . . . . 0.0 110.108 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -80.59 39.37 0.47 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.379 -0.826 . . . . 0.0 110.297 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.788 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_